[(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene

C13H18O3S — CID 102011158

IUPAC[(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene
SMILESCO[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18O3S/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyZKIWLJLYZNFZIR-OLZOCXBDSA-N
MW254.35 g/mol
LogP2.42
Rot. Bonds3

About [(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene

[(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene (PubChem CID 102011158) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is [(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene.

Molecular Properties

Compound Name[(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene
PubChem CID102011158
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name[(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene
SMILESCO[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18O3S/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyZKIWLJLYZNFZIR-OLZOCXBDSA-N
XLogP2.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
CID 102011157
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
2-(benzenesulfonyl)cyclohexan-1-amine
CID 62918222
(2-methylcyclopentyl)sulfonylbenzene
CID 14669547
2-(benzenesulfonyl)cycloheptan-1-amine
CID 62916688
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
2-(benzenesulfonyl)cyclohexane-1-carbonitrile
CID 64690352
N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine
CID 15528492
[2-(chloromethyl)cyclohexyl]sulfonylbenzene
CID 67997252
[2-(benzenesulfonyl)cycloheptyl]methanamine
CID 64698780
(2S,3R)-2-(benzenesulfonyl)-3-methoxybicyclo[2.2.2]octane
CID 102011149
[(1R,3R)-3-methoxycyclohexyl]sulfonylbenzene
CID 102011153

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene?
The IUPAC name of [(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene (CID 102011158) is [(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene.
What is the SMILES notation for [(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene?
The canonical SMILES for [(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene is CO[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene?
The InChIKey is ZKIWLJLYZNFZIR-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H18O3S/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene?
[(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene has a molecular weight of 254.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene is sourced from PubChem (CID 102011158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).