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228259-70-9 molecular structure
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1-(benzenesulfonyl)piperidin-4-amine

ChemBase ID: 34560
Molecular Formular: C11H16N2O2S
Molecular Mass: 240.32194
Monoisotopic Mass: 240.09324876
SMILES and InChIs

SMILES:
C1C(CCN(C1)S(=O)(=O)c1ccccc1)N
Canonical SMILES:
NC1CCN(CC1)S(=O)(=O)c1ccccc1
InChI:
InChI=1S/C11H16N2O2S/c12-10-6-8-13(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-5,10H,6-9,12H2
InChIKey:
JKYZVBQALRYBKE-UHFFFAOYSA-N

Cite this record

CBID:34560 http://www.chembase.cn/molecule-34560.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(benzenesulfonyl)piperidin-4-amine
IUPAC Traditional name
1-(benzenesulfonyl)piperidin-4-amine
Synonyms
1-(Phenylsulfonyl)piperidin-4-amine
1-(phenylsulfonyl)-4-piperidinamine
CAS Number
228259-70-9
MDL Number
MFCD06805738
PubChem SID
160997867
PubChem CID
4778222

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4778222 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7799513  LogD (pH = 7.4) -2.2096188 
Log P 0.23780651  Molar Refractivity 63.3911 cm3
Polarizability 25.608852 Å3 Polar Surface Area 63.4 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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