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

C18H33N3O3S — CID 5187962

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C18H33N3O3S/c1-3-20(4-2)25(23,24)21-14-11-17(12-15-21)18(22)19-13-10-16-8-6-5-7-9-16/h8,17H,3-7,9-15H2,1-2H3,(H,19,22)
InChIKeyCHUBWBXOARDAJY-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.29
Rot. Bonds8

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

N-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-4-carboxamide (PubChem CID 5187962) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-4-carboxamide
PubChem CID5187962
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C18H33N3O3S/c1-3-20(4-2)25(23,24)21-14-11-17(12-15-21)18(22)19-13-10-16-8-6-5-7-9-16/h8,17H,3-7,9-15H2,1-2H3,(H,19,22)
InChIKeyCHUBWBXOARDAJY-UHFFFAOYSA-N
XLogP2.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.29
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-(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
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
4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 5093494
N-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-3-carboxamide
CID 15992752
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344023
1-(azepan-1-ylsulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 4080811
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide
CID 5167469

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-4-carboxamide (CID 5187962) is N-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-4-carboxamide is CCN(CC)S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-4-carboxamide?
The InChIKey is CHUBWBXOARDAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-3-20(4-2)25(23,24)21-14-11-17(12-15-21)18(22)19-13-10-16-8-6-5-7-9-16/h8,17H,3-7,9-15H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-4-carboxamide has a molecular weight of 371.55 g/mol, XLogP of 2.29, 8 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-(diethylsulfamoyl)piperidine-4-carboxamide is sourced from PubChem (CID 5187962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).