[1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone

C17H24N2O3S — CID 5103142

IUPAC[1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(18-12-6-2-7-13-18)16-11-5-8-14-19(16)23(21,22)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2
InChIKeyFSIIZGBNOHUXQQ-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.24
Rot. Bonds3

About [1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone

[1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 5103142) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone
PubChem CID5103142
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(18-12-6-2-7-13-18)16-11-5-8-14-19(16)23(21,22)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2
InChIKeyFSIIZGBNOHUXQQ-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone (CID 5103142) is [1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone is O=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is FSIIZGBNOHUXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(18-12-6-2-7-13-18)16-11-5-8-14-19(16)23(21,22)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone?
[1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 336.46 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 5103142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).