2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide

C11H18O2S2 — CID 85186519

IUPAC2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide
SMILESO=S1CCCS(=O)C1=CC1CCCCC1
InChIInChI=1S/C11H18O2S2/c12-14-7-4-8-15(13)11(14)9-10-5-2-1-3-6-10/h9-10H,1-8H2
InChIKeyOWSLDVOXTKFUSF-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.31
Rot. Bonds1

About 2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide

2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide (PubChem CID 85186519) has the molecular formula C11H18O2S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide.

Molecular Properties

Compound Name2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide
PubChem CID85186519
Molecular FormulaC11H18O2S2
Molecular Weight246.40 g/mol
Exact Mass246.07
IUPAC Name2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide
SMILESO=S1CCCS(=O)C1=CC1CCCCC1
InChIInChI=1S/C11H18O2S2/c12-14-7-4-8-15(13)11(14)9-10-5-2-1-3-6-10/h9-10H,1-8H2
InChIKeyOWSLDVOXTKFUSF-UHFFFAOYSA-N
XLogP2.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide?
The IUPAC name of 2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide (CID 85186519) is 2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide.
What is the SMILES notation for 2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide?
The canonical SMILES for 2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide is O=S1CCCS(=O)C1=CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide?
The InChIKey is OWSLDVOXTKFUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S2/c12-14-7-4-8-15(13)11(14)9-10-5-2-1-3-6-10/h9-10H,1-8H2.
What are the key properties of 2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide?
2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide has a molecular weight of 246.40 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide is sourced from PubChem (CID 85186519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).