N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride

C17H28ClN3O3S — CID 119496646

IUPACN-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1CCCN(S(=O)(=O)Cc2ccccc2)C1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-14(18)9-10-19-17(21)16-8-5-11-20(12-16)24(22,23)13-15-6-3-2-4-7-15;/h2-4,6-7,14,16H,5,8-13,18H2,1H3,(H,19,21);1H
InChIKeyBTOGWMBINADSSH-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.50
Rot. Bonds7

About N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride

N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119496646) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride
PubChem CID119496646
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1CCCN(S(=O)(=O)Cc2ccccc2)C1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-14(18)9-10-19-17(21)16-8-5-11-20(12-16)24(22,23)13-15-6-3-2-4-7-15;/h2-4,6-7,14,16H,5,8-13,18H2,1H3,(H,19,21);1H
InChIKeyBTOGWMBINADSSH-UHFFFAOYSA-N
XLogP1.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylsulfonyl-N-[2-(ethylamino)ethyl]piperidine-3-carboxamide
CID 119506455
4-[(1-benzylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 119171136
N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride
CID 119586713
(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
(3S)-1-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 1445004
(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 1445005
(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642299
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
(3S)-1-benzylsulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
CID 92641347
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylsulfonylpiperidin-3-yl)methanone
CID 119518359
(3S)-3-[[(3S)-1-benzylsulfonylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 97211301
(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 1445009

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride (CID 119496646) is N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride is CC(N)CCNC(=O)C1CCCN(S(=O)(=O)Cc2ccccc2)C1.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is BTOGWMBINADSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-14(18)9-10-19-17(21)16-8-5-11-20(12-16)24(22,23)13-15-6-3-2-4-7-15;/h2-4,6-7,14,16H,5,8-13,18H2,1H3,(H,19,21);1H.
What are the key properties of N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride?
N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119496646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).