[1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone

C17H24N2O3S — CID 1084367

IUPAC[1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(18-11-5-2-6-12-18)15-9-13-19(14-10-15)23(21,22)16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2
InChIKeyMEMBANHWJBJTNM-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.10
Rot. Bonds3

About [1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 1084367) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID1084367
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(18-11-5-2-6-12-18)15-9-13-19(14-10-15)23(21,22)16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2
InChIKeyMEMBANHWJBJTNM-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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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 1084367) is [1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCCCC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is MEMBANHWJBJTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(18-11-5-2-6-12-18)15-9-13-19(14-10-15)23(21,22)16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(benzenesulfonyl)piperidin-4-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-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1084367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).