trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol

C12H16O3S2 — CID 102735746

IUPACtrans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol
SMILESCS(=O)(=O)c1ccc(S[C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C12H16O3S2/c1-17(14,15)10-7-5-9(6-8-10)16-12-4-2-3-11(12)13/h5-8,11-13H,2-4H2,1H3/t11-,12-/m1/s1
InChIKeyZWQROPFQLSQEDD-VXGBXAGGSA-N
MW272.39 g/mol
LogP2.10
Rot. Bonds3

About trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol

trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol (PubChem CID 102735746) has the molecular formula C12H16O3S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol
PubChem CID102735746
Molecular FormulaC12H16O3S2
Molecular Weight272.39 g/mol
Exact Mass272.05
IUPAC Nametrans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol
SMILESCS(=O)(=O)c1ccc(S[C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C12H16O3S2/c1-17(14,15)10-7-5-9(6-8-10)16-12-4-2-3-11(12)13/h5-8,11-13H,2-4H2,1H3/t11-,12-/m1/s1
InChIKeyZWQROPFQLSQEDD-VXGBXAGGSA-N
XLogP2.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol
CID 12791403
N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine
CID 64723286
2-(3-methylphenyl)sulfanylcyclopentan-1-ol
CID 61244535
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylsulfonylbenzenesulfonamide
CID 104953140
2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol
CID 102635903
[1-amino-3-(4-methylsulfonylphenyl)sulfanylcyclohexyl]methanol
CID 79640280
cyclobutyl-(4-methylsulfonylphenyl)methanone
CID 82497049
2-nitro-3-phenylsulfanylcyclohexan-1-ol
CID 580564
trans-(1S,2S)-2-(3-methylphenyl)sulfanylcyclohexan-1-ol
CID 102732787
4-(2-hydroxycyclohexyl)sulfanylpyridine-2-carboxylic acid
CID 79553888
(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine
CID 96674488
cyclopentyl-(4-methylsulfonylphenyl)methanol
CID 115840633

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol (CID 102735746) is trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol is CS(=O)(=O)c1ccc(S[C@@H]2CCC[C@H]2O)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol?
The InChIKey is ZWQROPFQLSQEDD-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16O3S2/c1-17(14,15)10-7-5-9(6-8-10)16-12-4-2-3-11(12)13/h5-8,11-13H,2-4H2,1H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol?
trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol is sourced from PubChem (CID 102735746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).