(3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate

C12H15ClO4S2 — CID 65374319

IUPAC(3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate
SMILESCC1CCCC(OC(=O)c2csc(S(=O)(=O)Cl)c2)C1
InChIInChI=1S/C12H15ClO4S2/c1-8-3-2-4-10(5-8)17-12(14)9-6-11(18-7-9)19(13,15)16/h6-8,10H,2-5H2,1H3
InChIKeyDWANULVGBZUCGV-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.41
Rot. Bonds3

About (3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate

(3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate (PubChem CID 65374319) has the molecular formula C12H15ClO4S2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate
PubChem CID65374319
Molecular FormulaC12H15ClO4S2
Molecular Weight322.84 g/mol
Exact Mass322.01
IUPAC Name(3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate
SMILESCC1CCCC(OC(=O)c2csc(S(=O)(=O)Cl)c2)C1
InChIInChI=1S/C12H15ClO4S2/c1-8-3-2-4-10(5-8)17-12(14)9-6-11(18-7-9)19(13,15)16/h6-8,10H,2-5H2,1H3
InChIKeyDWANULVGBZUCGV-UHFFFAOYSA-N
XLogP3.41
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate 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 (3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate?
The IUPAC name of (3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate (CID 65374319) is (3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate.
What is the SMILES notation for (3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate?
The canonical SMILES for (3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate is CC1CCCC(OC(=O)c2csc(S(=O)(=O)Cl)c2)C1.
What is the InChIKey of (3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate?
The InChIKey is DWANULVGBZUCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO4S2/c1-8-3-2-4-10(5-8)17-12(14)9-6-11(18-7-9)19(13,15)16/h6-8,10H,2-5H2,1H3.
What are the key properties of (3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate?
(3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate has a molecular weight of 322.84 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate is sourced from PubChem (CID 65374319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).