1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide

C20H28N2O3S — CID 2972016

IUPAC1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H28N2O3S/c23-20(21-14-13-17-8-3-1-4-9-17)18-10-7-15-22(16-18)26(24,25)19-11-5-2-6-12-19/h2,5-6,8,11-12,18H,1,3-4,7,9-10,13-16H2,(H,21,23)
InChIKeyHBOBNXMUMHMWBU-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.09
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 2972016) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID2972016
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H28N2O3S/c23-20(21-14-13-17-8-3-1-4-9-17)18-10-7-15-22(16-18)26(24,25)19-11-5-2-6-12-19/h2,5-6,8,11-12,18H,1,3-4,7,9-10,13-16H2,(H,21,23)
InChIKeyHBOBNXMUMHMWBU-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
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)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide (CID 2972016) is 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is HBOBNXMUMHMWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c23-20(21-14-13-17-8-3-1-4-9-17)18-10-7-15-22(16-18)26(24,25)19-11-5-2-6-12-19/h2,5-6,8,11-12,18H,1,3-4,7,9-10,13-16H2,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 376.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 2972016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).