N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide

C13H24N2O3S — CID 110343270

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide
SMILESCN(C)S(=O)(=O)CCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H24N2O3S/c1-15(2)19(17,18)11-9-13(16)14-10-8-12-6-4-3-5-7-12/h6H,3-5,7-11H2,1-2H3,(H,14,16)
InChIKeyCLKCDSNGGNPAOO-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.27
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide (PubChem CID 110343270) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide
PubChem CID110343270
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide
SMILESCN(C)S(=O)(=O)CCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H24N2O3S/c1-15(2)19(17,18)11-9-13(16)14-10-8-12-6-4-3-5-7-12/h6H,3-5,7-11H2,1-2H3,(H,14,16)
InChIKeyCLKCDSNGGNPAOO-UHFFFAOYSA-N
XLogP1.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
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]-3-(dimethylsulfamoyl)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide (CID 110343270) is N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide is CN(C)S(=O)(=O)CCC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide?
The InChIKey is CLKCDSNGGNPAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-15(2)19(17,18)11-9-13(16)14-10-8-12-6-4-3-5-7-12/h6H,3-5,7-11H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)propanamide has a molecular weight of 288.41 g/mol, XLogP of 1.27, 7 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]-3-(dimethylsulfamoyl)propanamide is sourced from PubChem (CID 110343270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).