4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide

C19H31N3O3S — CID 119490221

IUPAC4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide
SMILESCNC1CCCN(C(=O)C(CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C19H31N3O3S/c1-14(2)12-18(19(23)22-11-5-6-16(13-22)20-4)21-26(24,25)17-9-7-15(3)8-10-17/h7-10,14,16,18,20-21H,5-6,11-13H2,1-4H3
InChIKeyCYLSOLDESMMARZ-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.90
Rot. Bonds7

About 4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide

4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide (PubChem CID 119490221) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide
PubChem CID119490221
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide
SMILESCNC1CCCN(C(=O)C(CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C19H31N3O3S/c1-14(2)12-18(19(23)22-11-5-6-16(13-22)20-4)21-26(24,25)17-9-7-15(3)8-10-17/h7-10,14,16,18,20-21H,5-6,11-13H2,1-4H3
InChIKeyCYLSOLDESMMARZ-UHFFFAOYSA-N
XLogP1.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[1-[3-(methylamino)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 119490833
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 47735927
N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 35510552
(3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 51960638
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 155168701
4-methyl-N-[(2R)-4-methyl-1-[16-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600524
N,N-dimethyl-2-[4-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4-diazepan-1-yl]acetamide
CID 55642077
4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351459
(2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 30768113
[2-(cyclopentylamino)-2-oxoethyl] (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 7878258
4-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 9462907

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide (CID 119490221) is 4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide is CNC1CCCN(C(=O)C(CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide?
The InChIKey is CYLSOLDESMMARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-14(2)12-18(19(23)22-11-5-6-16(13-22)20-4)21-26(24,25)17-9-7-15(3)8-10-17/h7-10,14,16,18,20-21H,5-6,11-13H2,1-4H3.
What are the key properties of 4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide?
4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide has a molecular weight of 381.54 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 119490221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).