2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide

C12H20N2O3S — CID 128567095

IUPAC2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide
SMILESCc1conc1NS(=O)(=O)CCC1CCCCC1
InChIInChI=1S/C12H20N2O3S/c1-10-9-17-13-12(10)14-18(15,16)8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyVROFCMDTALIKPG-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.70
Rot. Bonds5

About 2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide

2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide (PubChem CID 128567095) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide
PubChem CID128567095
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide
SMILESCc1conc1NS(=O)(=O)CCC1CCCCC1
InChIInChI=1S/C12H20N2O3S/c1-10-9-17-13-12(10)14-18(15,16)8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyVROFCMDTALIKPG-UHFFFAOYSA-N
XLogP2.70
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide?
The IUPAC name of 2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide (CID 128567095) is 2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide?
The canonical SMILES for 2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide is Cc1conc1NS(=O)(=O)CCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide?
The InChIKey is VROFCMDTALIKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10-9-17-13-12(10)14-18(15,16)8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide?
2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(4-methyl-1,2-oxazol-3-yl)ethanesulfonamide is sourced from PubChem (CID 128567095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).