4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid

C13H20N2O4S2 — CID 103414068

IUPAC4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NS(=O)(=O)c2cnc(C)s2)(C(=O)O)CC1
InChIInChI=1S/C13H20N2O4S2/c1-3-10-4-6-13(7-5-10,12(16)17)15-21(18,19)11-8-14-9(2)20-11/h8,10,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyZJTROYBLFBHGTF-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.15
Rot. Bonds5

About 4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid

4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 103414068) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID103414068
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NS(=O)(=O)c2cnc(C)s2)(C(=O)O)CC1
InChIInChI=1S/C13H20N2O4S2/c1-3-10-4-6-13(7-5-10,12(16)17)15-21(18,19)11-8-14-9(2)20-11/h8,10,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyZJTROYBLFBHGTF-UHFFFAOYSA-N
XLogP2.15
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid 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 4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 103414068) is 4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid is CCC1CCC(NS(=O)(=O)c2cnc(C)s2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ZJTROYBLFBHGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-3-10-4-6-13(7-5-10,12(16)17)15-21(18,19)11-8-14-9(2)20-11/h8,10,15H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 332.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103414068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).