Home > Compound List > Compound details
651057-01-1 molecular structure
click picture or here to close

1-methanesulfonylpiperidin-4-amine hydrochloride

ChemBase ID: 50899
Molecular Formular: C6H15ClN2O2S
Molecular Mass: 214.7135
Monoisotopic Mass: 214.05427641
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CCC(CC1)N)C.Cl
Canonical SMILES:
NC1CCN(CC1)S(=O)(=O)C.Cl
InChI:
InChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-4-2-6(7)3-5-8;/h6H,2-5,7H2,1H3;1H
InChIKey:
BASBDQBWDDKEDK-UHFFFAOYSA-N

Cite this record

CBID:50899 http://www.chembase.cn/molecule-50899.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methanesulfonylpiperidin-4-amine hydrochloride
IUPAC Traditional name
1-methanesulfonylpiperidin-4-amine hydrochloride
Synonyms
1-Methanesulfonyl-piperidin-4-ylamine hydrochloride
1-(methylsulfonyl)piperidin-4-amine hydrochloride
CAS Number
651057-01-1
MDL Number
MFCD08690153
PubChem SID
162055662
PubChem CID
17221636

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.894478  LogD (pH = 7.4) -4.324154 
Log P -1.8767196  Molar Refractivity 43.2421 cm3
Polarizability 17.934917 Å3 Polar Surface Area 63.4 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
269 - 271°C expand Show data source
Hydrophobicity(logP)
-1.406 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle