N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride

C16H26ClN3O3S — CID 119626015

IUPACN-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-16(2,17)12-18-15(20)14-10-6-7-11-19(14)23(21,22)13-8-4-3-5-9-13;/h3-5,8-9,14H,6-7,10-12,17H2,1-2H3,(H,18,20);1H
InChIKeyFCOKTQBRDCMQOL-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.51
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119626015) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119626015
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC NameN-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-16(2,17)12-18-15(20)14-10-6-7-11-19(14)23(21,22)13-8-4-3-5-9-13;/h3-5,8-9,14H,6-7,10-12,17H2,1-2H3,(H,18,20);1H
InChIKeyFCOKTQBRDCMQOL-UHFFFAOYSA-N
XLogP1.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
CID 4669339
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120652440
1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide
CID 171136980
1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide
CID 78781172
1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504
1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide
CID 43017670
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride (CID 119626015) is N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride is CC(C)(N)CNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is FCOKTQBRDCMQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-16(2,17)12-18-15(20)14-10-6-7-11-19(14)23(21,22)13-8-4-3-5-9-13;/h3-5,8-9,14H,6-7,10-12,17H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119626015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).