N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C15H26N2O3S — CID 774762

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C15H26N2O3S/c1-21(19,20)17-11-8-14(9-12-17)15(18)16-10-7-13-5-3-2-4-6-13/h5,14H,2-4,6-12H2,1H3,(H,16,18)
InChIKeyYBEINXGBJQQYPR-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.66
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 774762) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID774762
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C15H26N2O3S/c1-21(19,20)17-11-8-14(9-12-17)15(18)16-10-7-13-5-3-2-4-6-13/h5,14H,2-4,6-12H2,1H3,(H,16,18)
InChIKeyYBEINXGBJQQYPR-UHFFFAOYSA-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-cyclohex-1-en-1-ylethyl)-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3586134
N-(2-cyclohex-1-en-1-ylethyl)-1-[(diethylamino)sulfonyl]piperidine-4-carboxamide
CID 5187962
N-(2-cyclohex-1-en-1-ylethyl)-1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]piperidine-4-carboxamide
CID 3502015
N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 3237015
N-(2-cyclohex-1-en-1-ylethyl)-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxamide
CID 4983363
N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42949879
N-((1-(methylsulfonyl)piperidin-4-yl)methyl)cyclohex-3-enecarboxamide
CID 71796763
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 84583924
(1S)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 97559185
(1R)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 97559186
N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 2974807
1-(azepan-1-ylsulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 4080811

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 774762) is N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is YBEINXGBJQQYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-21(19,20)17-11-8-14(9-12-17)15(18)16-10-7-13-5-3-2-4-6-13/h5,14H,2-4,6-12H2,1H3,(H,16,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-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 N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 774762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).