(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide

C15H26N2O3S — CID 7319795

IUPAC(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C15H26N2O3S/c1-21(19,20)17-11-5-8-14(12-17)15(18)16-10-9-13-6-3-2-4-7-13/h6,14H,2-5,7-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyFCWAUVPRIJQZOR-AWEZNQCLSA-N
MW314.45 g/mol
LogP1.66
Rot. Bonds5

About (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide

(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 7319795) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID7319795
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C15H26N2O3S/c1-21(19,20)17-11-5-8-14(12-17)15(18)16-10-9-13-6-3-2-4-7-13/h6,14H,2-5,7-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyFCWAUVPRIJQZOR-AWEZNQCLSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 774762
N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 3237015
N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42949879
N-[2-(cyclohexen-1-yl)ethyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4341306
1-(1-Azepanylsulfonyl)-N-[2-(1-cyclohexenyl)ethyl]-3-piperidinecarboxamide
CID 4380562
N-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-3-carboxamide
CID 15992752
N-(2-(cyclohex-1-en-1-yl)ethyl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 71785466
N-((1-(methylsulfonyl)piperidin-4-yl)methyl)cyclohex-3-enecarboxamide
CID 71796763
N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 2974807
2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 42949878
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(methanesulfonamidomethyl)cyclohexane-1-carboxamide
CID 45503945
4-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ylsulfonyl)-N-methylbutanamide
CID 123228259

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 7319795) is (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCCCC2)C1.
What is the InChIKey of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is FCWAUVPRIJQZOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-21(19,20)17-11-5-8-14(12-17)15(18)16-10-9-13-6-3-2-4-7-13/h6,14H,2-5,7-12H2,1H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide?
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 7319795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).