2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide

C14H20N2O3S — CID 43454576

IUPAC2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1N1CCC(=O)CC1
InChIInChI=1S/C14H20N2O3S/c1-11(2)15-20(18,19)14-6-4-3-5-13(14)16-9-7-12(17)8-10-16/h3-6,11,15H,7-10H2,1-2H3
InChIKeyOPZVLDKFSVVEEJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.54
Rot. Bonds4

About 2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide

2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 43454576) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide
PubChem CID43454576
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1N1CCC(=O)CC1
InChIInChI=1S/C14H20N2O3S/c1-11(2)15-20(18,19)14-6-4-3-5-13(14)16-9-7-12(17)8-10-16/h3-6,11,15H,7-10H2,1-2H3
InChIKeyOPZVLDKFSVVEEJ-UHFFFAOYSA-N
XLogP1.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-butan-2-ylphenyl)piperidin-4-one
CID 131843613
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 102784168
2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 61176965
1-(2-hydroxyphenyl)piperidin-4-one
CID 71419745
3-[[(1S)-1-phenylethyl]sulfamoyl]-4-pyrrolidin-1-ylbenzoic acid
CID 99979248
1-(2-iodophenyl)piperidin-4-one
CID 28978342
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 103976908
1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one
CID 166609167
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-N,4-N-di(propan-2-yl)pyrrole-3,4-disulfonamide
CID 20927512
N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide
CID 167810240
2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 106191932
N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 38282657

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide (CID 43454576) is 2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1N1CCC(=O)CC1.
What is the InChIKey of 2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is OPZVLDKFSVVEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11(2)15-20(18,19)14-6-4-3-5-13(14)16-9-7-12(17)8-10-16/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of 2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide?
2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43454576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).