cis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane

C8H16O4S2 — CID 26787354

IUPACcis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane
SMILESCS(=O)(=O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C8H16O4S2/c1-13(9,10)7-5-3-4-6-8(7)14(2,11)12/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyURKFDYPZTRLETI-OCAPTIKFSA-N
MW240.35 g/mol
LogP0.39
Rot. Bonds2

About cis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane

cis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane (PubChem CID 26787354) has the molecular formula C8H16O4S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is cis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane.

Molecular Properties

Compound Namecis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane
PubChem CID26787354
Molecular FormulaC8H16O4S2
Molecular Weight240.35 g/mol
Exact Mass240.05
IUPAC Namecis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane
SMILESCS(=O)(=O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C8H16O4S2/c1-13(9,10)7-5-3-4-6-8(7)14(2,11)12/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyURKFDYPZTRLETI-OCAPTIKFSA-N
XLogP0.39
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane?
The IUPAC name of cis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane (CID 26787354) is cis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane.
What is the SMILES notation for cis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane?
The canonical SMILES for cis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane is CS(=O)(=O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O.
What is the InChIKey of cis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane?
The InChIKey is URKFDYPZTRLETI-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H16O4S2/c1-13(9,10)7-5-3-4-6-8(7)14(2,11)12/h7-8H,3-6H2,1-2H3/t7-,8+.
What are the key properties of cis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane?
cis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane has a molecular weight of 240.35 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1,2-bis(methylsulfonyl)cyclohexane is sourced from PubChem (CID 26787354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).