1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane

C6H12O2S2 — CID 123677713

IUPAC1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane
SMILESCSCC1(S(C)(=O)=O)CC1
InChIInChI=1S/C6H12O2S2/c1-9-5-6(3-4-6)10(2,7)8/h3-5H2,1-2H3
InChIKeyQIWCBQIETNYQQL-UHFFFAOYSA-N
MW180.29 g/mol
LogP0.93
Rot. Bonds3

About 1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane

1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane (PubChem CID 123677713) has the molecular formula C6H12O2S2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane.

Molecular Properties

Compound Name1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane
PubChem CID123677713
Molecular FormulaC6H12O2S2
Molecular Weight180.29 g/mol
Exact Mass180.03
IUPAC Name1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane
SMILESCSCC1(S(C)(=O)=O)CC1
InChIInChI=1S/C6H12O2S2/c1-9-5-6(3-4-6)10(2,7)8/h3-5H2,1-2H3
InChIKeyQIWCBQIETNYQQL-UHFFFAOYSA-N
XLogP0.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane 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 1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane?
The IUPAC name of 1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane (CID 123677713) is 1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane.
What is the SMILES notation for 1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane?
The canonical SMILES for 1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane is CSCC1(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane?
The InChIKey is QIWCBQIETNYQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S2/c1-9-5-6(3-4-6)10(2,7)8/h3-5H2,1-2H3.
What are the key properties of 1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane?
1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane has a molecular weight of 180.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethyl)-1-methylsulfonylcyclopropane is sourced from PubChem (CID 123677713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).