4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane

C16H30O2S — CID 166684232

IUPAC4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane
SMILESCC1CCC(S(=O)(=O)[C@@H]2CCC(C)C(C)C2)CC1C
InChIInChI=1S/C16H30O2S/c1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16/h11-16H,5-10H2,1-4H3/t11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyXXOWUWLAJFYCQS-BAPHQMLMSA-N
MW286.48 g/mol
LogP4.05
Rot. Bonds2

About 4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane

4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane (PubChem CID 166684232) has the molecular formula C16H30O2S and a molecular weight of 286.48 g/mol. Its IUPAC name is 4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane.

Molecular Properties

Compound Name4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane
PubChem CID166684232
Molecular FormulaC16H30O2S
Molecular Weight286.48 g/mol
Exact Mass286.20
IUPAC Name4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane
SMILESCC1CCC(S(=O)(=O)[C@@H]2CCC(C)C(C)C2)CC1C
InChIInChI=1S/C16H30O2S/c1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16/h11-16H,5-10H2,1-4H3/t11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyXXOWUWLAJFYCQS-BAPHQMLMSA-N
XLogP4.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane?
The IUPAC name of 4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane (CID 166684232) is 4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane.
What is the SMILES notation for 4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane?
The canonical SMILES for 4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane is CC1CCC(S(=O)(=O)[C@@H]2CCC(C)C(C)C2)CC1C.
What is the InChIKey of 4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane?
The InChIKey is XXOWUWLAJFYCQS-BAPHQMLMSA-N. The full InChI is InChI=1S/C16H30O2S/c1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16/h11-16H,5-10H2,1-4H3/t11?,12?,13?,14?,15-,16?/m1/s1.
What are the key properties of 4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane?
4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane has a molecular weight of 286.48 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane is sourced from PubChem (CID 166684232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).