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

C17H21NO3S — CID 24816513

IUPAC[1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(S(=O)(=O)c2ccccc2)CC=CC1
InChIInChI=1S/C17H21NO3S/c19-16(18-13-7-2-8-14-18)17(11-5-6-12-17)22(20,21)15-9-3-1-4-10-15/h1,3-6,9-10H,2,7-8,11-14H2
InChIKeyWKSMRDLUALYXRS-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.56
Rot. Bonds3

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

[1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone (PubChem CID 24816513) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is [1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone
PubChem CID24816513
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name[1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(S(=O)(=O)c2ccccc2)CC=CC1
InChIInChI=1S/C17H21NO3S/c19-16(18-13-7-2-8-14-18)17(11-5-6-12-17)22(20,21)15-9-3-1-4-10-15/h1,3-6,9-10H,2,7-8,11-14H2
InChIKeyWKSMRDLUALYXRS-UHFFFAOYSA-N
XLogP2.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone (CID 24816513) is [1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)C1(S(=O)(=O)c2ccccc2)CC=CC1.
What is the InChIKey of [1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone?
The InChIKey is WKSMRDLUALYXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c19-16(18-13-7-2-8-14-18)17(11-5-6-12-17)22(20,21)15-9-3-1-4-10-15/h1,3-6,9-10H,2,7-8,11-14H2.
What are the key properties of [1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone?
[1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone has a molecular weight of 319.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 24816513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).