N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide

C15H22N2O3S — CID 7636321

IUPACN-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
InChIInChI=1S/C15H22N2O3S/c1-3-10-21(19,20)16-13-8-7-12(2)14(11-13)17-9-5-4-6-15(17)18/h7-8,11,16H,3-6,9-10H2,1-2H3
InChIKeyZMNGKWOUXHGIET-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.66
Rot. Bonds5

About N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide

N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide (PubChem CID 7636321) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide
PubChem CID7636321
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
InChIInChI=1S/C15H22N2O3S/c1-3-10-21(19,20)16-13-8-7-12(2)14(11-13)17-9-5-4-6-15(17)18/h7-8,11,16H,3-6,9-10H2,1-2H3
InChIKeyZMNGKWOUXHGIET-UHFFFAOYSA-N
XLogP2.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636371
4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636338
1-bromo-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide
CID 7636190
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636353
2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636345
4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635998
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide
CID 7636421
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide
CID 53277986
N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636261

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide (CID 7636321) is N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(C)c(N2CCCCC2=O)c1.
What is the InChIKey of N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide?
The InChIKey is ZMNGKWOUXHGIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-10-21(19,20)16-13-8-7-12(2)14(11-13)17-9-5-4-6-15(17)18/h7-8,11,16H,3-6,9-10H2,1-2H3.
What are the key properties of N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide?
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 7636321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).