cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol

C12H16O3S — CID 11746739

IUPACcis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
SMILESO=S(=O)(c1ccccc1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H16O3S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12+/m0/s1
InChIKeyBYEVDKBZRBSHTR-NWDGAFQWSA-N
MW240.32 g/mol
LogP1.76
Rot. Bonds2

About cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol

cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol (PubChem CID 11746739) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
PubChem CID11746739
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Namecis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
SMILESO=S(=O)(c1ccccc1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H16O3S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12+/m0/s1
InChIKeyBYEVDKBZRBSHTR-NWDGAFQWSA-N
XLogP1.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfonylcycloheptan-1-ol
CID 106584989
[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
CID 102011157
2-(benzenesulfonyl)cyclohexan-1-amine
CID 62918222
2-(benzenesulfonyl)cycloheptan-1-amine
CID 62916688
trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
CID 13212964
2-(benzenesulfonyl)cyclohexane-1-carbonitrile
CID 64690352
N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine
CID 15528492
(2-methylcyclopentyl)sulfonylbenzene
CID 14669547
[(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene
CID 102011158
(1R,2R,5R)-2-(benzenesulfonyl)-5-methylcyclohexan-1-ol
CID 164781537
[2-(chloromethyl)cyclohexyl]sulfonylbenzene
CID 67997252
(1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol
CID 10911682

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol (CID 11746739) is cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol is O=S(=O)(c1ccccc1)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol?
The InChIKey is BYEVDKBZRBSHTR-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H16O3S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol?
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol is sourced from PubChem (CID 11746739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).