[1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone

C17H24N2O3S — CID 2931939

IUPAC[1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(18-11-5-2-6-12-18)15-8-7-13-19(14-15)23(21,22)16-9-3-1-4-10-16/h1,3-4,9-10,15H,2,5-8,11-14H2
InChIKeyMJYIOVYQWOCDQZ-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.10
Rot. Bonds3

About [1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone

[1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 2931939) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID2931939
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(18-11-5-2-6-12-18)15-8-7-13-19(14-15)23(21,22)16-9-3-1-4-10-16/h1,3-4,9-10,15H,2,5-8,11-14H2
InChIKeyMJYIOVYQWOCDQZ-UHFFFAOYSA-N
XLogP2.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 8933910
N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
N,N-diethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 92463235
(4,4-difluoropiperidin-1-yl)-[(3R)-1-(4-pentan-3-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 162365278
N,N-diethyl-4-[(3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365279
tert-butyl 4-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 162365322
[(3R)-1-(4-cyclobutylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 162365368
(R)-(4,4-Difluoropiperidin-1-yl)(1-((4-(isopropylsulfonyl)phenyl)sulfonyl)piperidin-3-yl)methanone
CID 162365370
N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365377
N,N-diethyl-4-[(3R)-3-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365390
4-[(3R)-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 162365407

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone (CID 2931939) is [1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone is O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCCC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is MJYIOVYQWOCDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(18-11-5-2-6-12-18)15-8-7-13-19(14-15)23(21,22)16-9-3-1-4-10-16/h1,3-4,9-10,15H,2,5-8,11-14H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone?
[1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 336.46 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 2931939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).