1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride

C13H21ClN2O2S — CID 120714938

IUPAC1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)Cc2ccccc2)C1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-14-13-8-5-9-15(10-13)18(16,17)11-12-6-3-2-4-7-12;/h2-4,6-7,13-14H,5,8-11H2,1H3;1H
InChIKeyQLFXWVSVBBUHRV-UHFFFAOYSA-N
MW304.84 g/mol
LogP1.62
Rot. Bonds4

About 1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride

1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride (PubChem CID 120714938) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
PubChem CID120714938
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)Cc2ccccc2)C1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-14-13-8-5-9-15(10-13)18(16,17)11-12-6-3-2-4-7-12;/h2-4,6-7,13-14H,5,8-11H2,1H3;1H
InChIKeyQLFXWVSVBBUHRV-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714805
N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine
CID 110868419
(1-benzylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489941
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine
CID 114498856
1-(1,2-benzoxazol-3-ylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
CID 120875946
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714978
(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
CID 119991099
2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122257583

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride (CID 120714938) is 1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride is CNC1CCCN(S(=O)(=O)Cc2ccccc2)C1.Cl.
What is the InChIKey of 1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride?
The InChIKey is QLFXWVSVBBUHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-14-13-8-5-9-15(10-13)18(16,17)11-12-6-3-2-4-7-12;/h2-4,6-7,13-14H,5,8-11H2,1H3;1H.
What are the key properties of 1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride?
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120714938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).