cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol

C13H18O3S — CID 6922943

IUPACcis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol
SMILESO=S(=O)(Cc1ccccc1)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C13H18O3S/c14-12-8-4-5-9-13(12)17(15,16)10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13+/m1/s1
InChIKeyTUTHKPOFBPQWDP-OLZOCXBDSA-N
MW254.35 g/mol
LogP1.90
Rot. Bonds3

About cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol

cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol (PubChem CID 6922943) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol
PubChem CID6922943
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Namecis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol
SMILESO=S(=O)(Cc1ccccc1)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C13H18O3S/c14-12-8-4-5-9-13(12)17(15,16)10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13+/m1/s1
InChIKeyTUTHKPOFBPQWDP-OLZOCXBDSA-N
XLogP1.90
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfonyl-N-methylcyclohexan-1-amine
CID 64644766
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
2-(2-phenylethylsulfonyl)cyclohexane-1-carboxylic acid
CID 72656562
2-benzylsulfonyl-1-cyclohexylethanone
CID 104756083
1-chloro-4-[[(1R,2S)-2-methylsulfonylcyclohexyl]sulfonylmethyl]benzene
CID 7027908
3-benzylsulfonylazetidine
CID 71777930
[4-(cyclopentylsulfonylmethyl)phenyl]methanol
CID 110004765
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
(1R,2S,3R,4S)-3-benzylsulfonyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10828640
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032
2-(dibenzylamino)cyclohexan-1-ol;methanesulfonic acid
CID 86743264
N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide
CID 65032886

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol (CID 6922943) is cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol is O=S(=O)(Cc1ccccc1)[C@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol?
The InChIKey is TUTHKPOFBPQWDP-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H18O3S/c14-12-8-4-5-9-13(12)17(15,16)10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13+/m1/s1.
What are the key properties of cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol?
cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol has a molecular weight of 254.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol is sourced from PubChem (CID 6922943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).