1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide

C19H31N3O3S — CID 24650068

IUPAC1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)N(C)C
InChIInChI=1S/C19H31N3O3S/c1-15(2)18(21(3)4)14-20-19(23)16-10-12-22(13-11-16)26(24,25)17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,20,23)
InChIKeyMOQVXXAMGQQKRH-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.79
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide (PubChem CID 24650068) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
PubChem CID24650068
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)N(C)C
InChIInChI=1S/C19H31N3O3S/c1-15(2)18(21(3)4)14-20-19(23)16-10-12-22(13-11-16)26(24,25)17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,20,23)
InChIKeyMOQVXXAMGQQKRH-UHFFFAOYSA-N
XLogP1.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650065
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 42940236
N-[2-(dimethylamino)-3-methylbutyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 24650096
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
[(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8504371
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 94108023
1-(benzenesulfonyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 55723351
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4808890
1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459
1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002804
1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide
CID 55675373

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide (CID 24650068) is 1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide is CC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)N(C)C.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide?
The InChIKey is MOQVXXAMGQQKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-15(2)18(21(3)4)14-20-19(23)16-10-12-22(13-11-16)26(24,25)17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,20,23).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide has a molecular weight of 381.54 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide is sourced from PubChem (CID 24650068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).