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

C11H18O2S2 — CID 10562395

IUPAC(1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide
SMILESO=[S@@]1CCC[S@@](=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/t14-,15-/m1/s1
InChIKeyOWSLDVOXTKFUSF-HUUCEWRRSA-N
MW246.40 g/mol
LogP2.31
Rot. Bonds1

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

(1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide (PubChem CID 10562395) has the molecular formula C11H18O2S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide.

Molecular Properties

Compound Name(1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide
PubChem CID10562395
Molecular FormulaC11H18O2S2
Molecular Weight246.40 g/mol
Exact Mass246.07
IUPAC Name(1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide
SMILESO=[S@@]1CCC[S@@](=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/t14-,15-/m1/s1
InChIKeyOWSLDVOXTKFUSF-HUUCEWRRSA-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 (1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide?
The IUPAC name of (1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide (CID 10562395) is (1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide.
What is the SMILES notation for (1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide?
The canonical SMILES for (1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide is O=[S@@]1CCC[S@@](=O)C1=CC1CCCCC1.
What is the InChIKey of (1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide?
The InChIKey is OWSLDVOXTKFUSF-HUUCEWRRSA-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/t14-,15-/m1/s1.
What are the key properties of (1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide?
(1R,3R)-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 (1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide is sourced from PubChem (CID 10562395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).