2-but-2-enylsulfonyl-N-cyclohexylpropanamide

C13H23NO3S — CID 72686246

IUPAC2-but-2-enylsulfonyl-N-cyclohexylpropanamide
SMILESCC=CCS(=O)(=O)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H23NO3S/c1-3-4-10-18(16,17)11(2)13(15)14-12-8-6-5-7-9-12/h3-4,11-12H,5-10H2,1-2H3,(H,14,15)
InChIKeyMSHJMNHQNRKRKZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.81
Rot. Bonds5

About 2-but-2-enylsulfonyl-N-cyclohexylpropanamide

2-but-2-enylsulfonyl-N-cyclohexylpropanamide (PubChem CID 72686246) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-but-2-enylsulfonyl-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-but-2-enylsulfonyl-N-cyclohexylpropanamide
PubChem CID72686246
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name2-but-2-enylsulfonyl-N-cyclohexylpropanamide
SMILESCC=CCS(=O)(=O)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H23NO3S/c1-3-4-10-18(16,17)11(2)13(15)14-12-8-6-5-7-9-12/h3-4,11-12H,5-10H2,1-2H3,(H,14,15)
InChIKeyMSHJMNHQNRKRKZ-UHFFFAOYSA-N
XLogP1.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-but-2-enylsulfonyl-N-cyclohexylpropanamide 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

(2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide
CID 95652956
2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
N-cyclopropyl-2-(3-phenylprop-2-enylsulfonyl)propanamide
CID 131962739
2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide
CID 81195838
N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide
CID 42961400
(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
CID 51946941
(2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide
CID 94087763
(2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide
CID 51727076
(E)-N-cyclohexyl-2-hydroxypent-3-enamide
CID 130015263
2-but-2-enylsulfonyl-N-cyclopropylacetamide
CID 76865490
[3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide
CID 54589865
2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide
CID 81194493

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enylsulfonyl-N-cyclohexylpropanamide?
The IUPAC name of 2-but-2-enylsulfonyl-N-cyclohexylpropanamide (CID 72686246) is 2-but-2-enylsulfonyl-N-cyclohexylpropanamide.
What is the SMILES notation for 2-but-2-enylsulfonyl-N-cyclohexylpropanamide?
The canonical SMILES for 2-but-2-enylsulfonyl-N-cyclohexylpropanamide is CC=CCS(=O)(=O)C(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-but-2-enylsulfonyl-N-cyclohexylpropanamide?
The InChIKey is MSHJMNHQNRKRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-3-4-10-18(16,17)11(2)13(15)14-12-8-6-5-7-9-12/h3-4,11-12H,5-10H2,1-2H3,(H,14,15).
What are the key properties of 2-but-2-enylsulfonyl-N-cyclohexylpropanamide?
2-but-2-enylsulfonyl-N-cyclohexylpropanamide has a molecular weight of 273.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enylsulfonyl-N-cyclohexylpropanamide is sourced from PubChem (CID 72686246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).