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

C16H28N2O3S — CID 3237015

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C16H28N2O3S/c1-2-22(20,21)18-12-9-15(10-13-18)16(19)17-11-8-14-6-4-3-5-7-14/h6,15H,2-5,7-13H2,1H3,(H,17,19)
InChIKeyQPEXOQZADGXODY-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.05
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 3237015) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID3237015
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C16H28N2O3S/c1-2-22(20,21)18-12-9-15(10-13-18)16(19)17-11-8-14-6-4-3-5-7-14/h6,15H,2-5,7-13H2,1H3,(H,17,19)
InChIKeyQPEXOQZADGXODY-UHFFFAOYSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.05
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-(1-cyclohexen-1-yl)ethyl]-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 774762
N-(2-cyclohex-1-en-1-ylethyl)-1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]piperidine-4-carboxamide
CID 3502015
N-(2-cyclohex-1-en-1-ylethyl)-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxamide
CID 4983363
4-(4-methylpiperidin-1-yl)-N-(4-sulfamoylcyclohexa-2,5-dien-1-yl)butanamide
CID 46881376
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)oxalamide
CID 49683674
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2974807
1-(azepan-1-ylsulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 4080811
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(methanesulfonamidomethyl)cyclohexane-1-carboxamide
CID 45503945
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-(methylsulfonyl)piperidin-4-yl)methyl)oxalamide
CID 49682242
4-(aminosulfonyl)-N-(1-cyclohex-1-en-1-ylethyl)butanamide
CID 56754408

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 3237015) is N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is QPEXOQZADGXODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-2-22(20,21)18-12-9-15(10-13-18)16(19)17-11-8-14-6-4-3-5-7-14/h6,15H,2-5,7-13H2,1H3,(H,17,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 2.05, 6 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-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3237015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).