3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide

C11H18O3S — CID 165489680

IUPAC3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1CCCC(OC2C=CS(=O)(=O)C2)C1
InChIInChI=1S/C11H18O3S/c1-9-3-2-4-10(7-9)14-11-5-6-15(12,13)8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyCCTBPNQRNHWETQ-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.89
Rot. Bonds2

About 3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide

3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165489680) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165489680
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1CCCC(OC2C=CS(=O)(=O)C2)C1
InChIInChI=1S/C11H18O3S/c1-9-3-2-4-10(7-9)14-11-5-6-15(12,13)8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyCCTBPNQRNHWETQ-UHFFFAOYSA-N
XLogP1.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide 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-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide (CID 165489680) is 3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide is CC1CCCC(OC2C=CS(=O)(=O)C2)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is CCTBPNQRNHWETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c1-9-3-2-4-10(7-9)14-11-5-6-15(12,13)8-11/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide?
3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 230.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165489680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).