trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol

C12H16O3S — CID 13212964

IUPACtrans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
SMILESCc1ccc(S(=O)(=O)[C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C12H16O3S/c1-9-5-7-10(8-6-9)16(14,15)12-4-2-3-11(12)13/h5-8,11-13H,2-4H2,1H3/t11-,12-/m1/s1
InChIKeyUSLOADSOSCMUEP-VXGBXAGGSA-N
MW240.32 g/mol
LogP1.68
Rot. Bonds2

About trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol

trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol (PubChem CID 13212964) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
PubChem CID13212964
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Nametrans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
SMILESCc1ccc(S(=O)(=O)[C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C12H16O3S/c1-9-5-7-10(8-6-9)16(14,15)12-4-2-3-11(12)13/h5-8,11-13H,2-4H2,1H3/t11-,12-/m1/s1
InChIKeyUSLOADSOSCMUEP-VXGBXAGGSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene
CID 12556444
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
2-(4-bromophenyl)sulfonylcycloheptan-1-ol
CID 106584989
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol
CID 106585473
[(1R,2R)-2-hydroxycyclopentyl] 4-methylbenzenesulfonate
CID 102005144
(1S,2R,6S)-7-(4-methylphenyl)sulfonyl-7-azabicyclo[4.1.0]heptan-2-ol
CID 102032381
2-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-1-ol
CID 86790070
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine
CID 64906105

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol (CID 13212964) is trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol is Cc1ccc(S(=O)(=O)[C@@H]2CCC[C@H]2O)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol?
The InChIKey is USLOADSOSCMUEP-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16O3S/c1-9-5-7-10(8-6-9)16(14,15)12-4-2-3-11(12)13/h5-8,11-13H,2-4H2,1H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol?
trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol is sourced from PubChem (CID 13212964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).