3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide

C16H24N2O3S — CID 95148436

IUPAC3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C16H24N2O3S/c1-12-7-6-9-15(11-12)22(20,21)17-14(3)16(19)18-10-5-4-8-13(18)2/h6-7,9,11,13-14,17H,4-5,8,10H2,1-3H3/t13-,14-/m0/s1
InChIKeyOXJRDQVKJRNDAJ-KBPBESRZSA-N
MW324.45 g/mol
LogP2.06
Rot. Bonds4

About 3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide

3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 95148436) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID95148436
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C16H24N2O3S/c1-12-7-6-9-15(11-12)22(20,21)17-14(3)16(19)18-10-5-4-8-13(18)2/h6-7,9,11,13-14,17H,4-5,8,10H2,1-3H3/t13-,14-/m0/s1
InChIKeyOXJRDQVKJRNDAJ-KBPBESRZSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

3-cyano-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 95149605
1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
CID 95281378
1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
CID 119176050
methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate
CID 86818265
3-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94217942
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 94811590
3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097875
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119436957
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 112995596
2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818390
1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine
CID 51108067

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide (CID 95148436) is 3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide is Cc1cccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)c1.
What is the InChIKey of 3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is OXJRDQVKJRNDAJ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-7-6-9-15(11-12)22(20,21)17-14(3)16(19)18-10-5-4-8-13(18)2/h6-7,9,11,13-14,17H,4-5,8,10H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of 3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 95148436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).