2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one

C16H21NO3S — CID 79535712

IUPAC2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H21NO3S/c18-16-11-6-9-14(16)15-10-4-5-12-17(15)21(19,20)13-7-2-1-3-8-13/h1-3,7-8,14-15H,4-6,9-12H2
InChIKeyLBVJRKIOKLMFAN-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.60
Rot. Bonds3

About 2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one

2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one (PubChem CID 79535712) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one
PubChem CID79535712
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H21NO3S/c18-16-11-6-9-14(16)15-10-4-5-12-17(15)21(19,20)13-7-2-1-3-8-13/h1-3,7-8,14-15H,4-6,9-12H2
InChIKeyLBVJRKIOKLMFAN-UHFFFAOYSA-N
XLogP2.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 555825
(4aS,8aS)-1-(benzenesulfonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 6923245
2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
CID 79539689
2-(1-cyclopentylsulfonylpiperidin-2-yl)cyclopentan-1-one
CID 105361187
2-[1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 136531002
1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine
CID 60620481
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one
CID 103414737
1-(benzenesulfonyl)-2-piperidin-4-ylazepane
CID 54592723
(2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane
CID 95241513
2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one
CID 79545751
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 79539732
(4aR,8aS)-1-[4-(benzenesulfonyl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 1269766

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one (CID 79535712) is 2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one?
The InChIKey is LBVJRKIOKLMFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c18-16-11-6-9-14(16)15-10-4-5-12-17(15)21(19,20)13-7-2-1-3-8-13/h1-3,7-8,14-15H,4-6,9-12H2.
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one?
2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one has a molecular weight of 307.41 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79535712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).