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

C16H22N2O3S — CID 2973409

IUPAC[1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN1S(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C16H22N2O3S/c19-16(17-11-5-2-6-12-17)15-10-7-13-18(15)22(20,21)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2
InChIKeyLTUSQGOQQCNPCZ-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.85
Rot. Bonds3

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

[1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 2973409) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is [1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID2973409
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name[1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN1S(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C16H22N2O3S/c19-16(17-11-5-2-6-12-17)15-10-7-13-18(15)22(20,21)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2
InChIKeyLTUSQGOQQCNPCZ-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 2973409) is [1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is O=C(C1CCCN1S(=O)(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of [1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is LTUSQGOQQCNPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16(17-11-5-2-6-12-17)15-10-7-13-18(15)22(20,21)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2.
What are the key properties of [1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
[1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 322.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 2973409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).