3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

C17H24N2O4S — CID 51149463

IUPAC3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C17H24N2O4S/c1-13-5-4-10-19(12-13)17(21)8-9-18-24(22,23)16-7-3-6-15(11-16)14(2)20/h3,6-7,11,13,18H,4-5,8-10,12H2,1-2H3
InChIKeyGQHLWBZNLJMEGI-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.82
Rot. Bonds6

About 3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 51149463) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID51149463
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C17H24N2O4S/c1-13-5-4-10-19(12-13)17(21)8-9-18-24(22,23)16-7-3-6-15(11-16)14(2)20/h3,6-7,11,13,18H,4-5,8-10,12H2,1-2H3
InChIKeyGQHLWBZNLJMEGI-UHFFFAOYSA-N
XLogP1.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480
3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032867
N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109065260
N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
(2R)-1-acetyl-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
CID 92504914
3-acetyl-N-[3-[(3S)-3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 99784244
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 47091483
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2094002
3-bromo-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 29262191
N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 94809178
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 51149463) is 3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCCC(C)C2)c1.
What is the InChIKey of 3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is GQHLWBZNLJMEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-13-5-4-10-19(12-13)17(21)8-9-18-24(22,23)16-7-3-6-15(11-16)14(2)20/h3,6-7,11,13,18H,4-5,8-10,12H2,1-2H3.
What are the key properties of 3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 51149463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).