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

C14H25N3O3S — CID 39941123

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESNS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C14H25N3O3S/c15-21(19,20)17-10-7-13(8-11-17)14(18)16-9-6-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,16,18)(H2,15,19,20)
InChIKeyLNMLCDAVDCWVMV-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.91
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 39941123) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
PubChem CID39941123
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESNS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C14H25N3O3S/c15-21(19,20)17-10-7-13(8-11-17)14(18)16-9-6-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,16,18)(H2,15,19,20)
InChIKeyLNMLCDAVDCWVMV-UHFFFAOYSA-N
XLogP0.91
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide (CID 39941123) is N-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide is NS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is LNMLCDAVDCWVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c15-21(19,20)17-10-7-13(8-11-17)14(18)16-9-6-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,16,18)(H2,15,19,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 39941123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).