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83019-89-0 molecular structure
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N-(2-aminoethyl)methanesulfonamide

ChemBase ID: 254465
Molecular Formular: C3H10N2O2S
Molecular Mass: 138.1887
Monoisotopic Mass: 138.04629857
SMILES and InChIs

SMILES:
S(=O)(=O)(NCCN)C
Canonical SMILES:
NCCNS(=O)(=O)C
InChI:
InChI=1S/C3H10N2O2S/c1-8(6,7)5-3-2-4/h5H,2-4H2,1H3
InChIKey:
GCDZDXVTDCMNMN-UHFFFAOYSA-N

Cite this record

CBID:254465 http://www.chembase.cn/molecule-254465.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-aminoethyl)methanesulfonamide
IUPAC Traditional name
N-(2-aminoethyl)methanesulfonamide
Synonyms
N-(2-aminoethyl)methanesulfonamide
CAS Number
83019-89-0
MDL Number
MFCD04355317
PubChem SID
164310375
PubChem CID
533845

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 533845 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) -3.830448  Log P -2.1085572 
Molar Refractivity 30.9134 cm3 Polarizability 13.169777 Å3
Polar Surface Area 72.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 11.846201 
H Acceptors H Donor
LogD (pH = 5.5) -5.044874 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
65 - 67°C expand Show data source
Hydrophobicity(logP)
-1.176 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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