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

C18H31N3O3S — CID 3586134

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C18H31N3O3S/c22-18(19-11-8-16-6-2-1-3-7-16)17-9-14-21(15-10-17)25(23,24)20-12-4-5-13-20/h6,17H,1-5,7-15H2,(H,19,22)
InChIKeyYMOISUKBUIDFMU-UHFFFAOYSA-N
MW369.53 g/mol
LogP2.05
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3586134) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3586134
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C18H31N3O3S/c22-18(19-11-8-16-6-2-1-3-7-16)17-9-14-21(15-10-17)25(23,24)20-12-4-5-13-20/h6,17H,1-5,7-15H2,(H,19,22)
InChIKeyYMOISUKBUIDFMU-UHFFFAOYSA-N
XLogP2.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-yl)ethyl]-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3237015
N-(2-cyclohex-1-en-1-ylethyl)-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxamide
CID 4983363
1-(azepan-1-ylsulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 4080811
1-acetyl-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-4-carboxamide
CID 6467776
N-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 4605101
N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-4-carboxamide
CID 16769374
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 28570659
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 28570662
N-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39941123

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3586134) is N-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is YMOISUKBUIDFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c22-18(19-11-8-16-6-2-1-3-7-16)17-9-14-21(15-10-17)25(23,24)20-12-4-5-13-20/h6,17H,1-5,7-15H2,(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 369.53 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-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3586134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).