N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide

C12H22N2O3S — CID 56754408

IUPACN-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide
SMILESCC(NC(=O)CCCS(N)(=O)=O)C1=CCCCC1
InChIInChI=1S/C12H22N2O3S/c1-10(11-6-3-2-4-7-11)14-12(15)8-5-9-18(13,16)17/h6,10H,2-5,7-9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyPGIRNUHVBOJKLI-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.06
Rot. Bonds6

About N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide

N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide (PubChem CID 56754408) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide
PubChem CID56754408
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide
SMILESCC(NC(=O)CCCS(N)(=O)=O)C1=CCCCC1
InChIInChI=1S/C12H22N2O3S/c1-10(11-6-3-2-4-7-11)14-12(15)8-5-9-18(13,16)17/h6,10H,2-5,7-9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyPGIRNUHVBOJKLI-UHFFFAOYSA-N
XLogP1.06
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide 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-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 3237015
2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide
CID 71863315
N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 71040358
2-(3-Methyl-dec-3-enamido)ethanesulfonic acid
CID 129882508
5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide
CID 70974461
N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 71040485
5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide
CID 89214927
5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide
CID 89214978
N-[(4Z,7E,9Z)-7,10-dimethyldodeca-4,7,9-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89256521
4-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ylsulfonyl)-N-methylbutanamide
CID 123228259
N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide
CID 134339064
N-[2-(cyclohexen-1-yl)ethyl]-3-piperazin-1-ylsulfonylpropanamide
CID 24253567

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide?
The IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide (CID 56754408) is N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide?
The canonical SMILES for N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide is CC(NC(=O)CCCS(N)(=O)=O)C1=CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide?
The InChIKey is PGIRNUHVBOJKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-10(11-6-3-2-4-7-11)14-12(15)8-5-9-18(13,16)17/h6,10H,2-5,7-9H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide?
N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide has a molecular weight of 274.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)ethyl]-4-sulfamoylbutanamide is sourced from PubChem (CID 56754408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).