trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol

C9H18O2S — CID 102735775

IUPACtrans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol
SMILESCC(CCO)S[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H18O2S/c1-7(5-6-10)12-9-4-2-3-8(9)11/h7-11H,2-6H2,1H3/t7?,8-,9-/m1/s1
InChIKeyKWJQEYGVRIBWAC-CFCGPWAMSA-N
MW190.31 g/mol
LogP1.40
Rot. Bonds4

About trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol

trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol (PubChem CID 102735775) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol
PubChem CID102735775
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Nametrans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol
SMILESCC(CCO)S[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H18O2S/c1-7(5-6-10)12-9-4-2-3-8(9)11/h7-11H,2-6H2,1H3/t7?,8-,9-/m1/s1
InChIKeyKWJQEYGVRIBWAC-CFCGPWAMSA-N
XLogP1.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminocyclooctyl)sulfanylbutan-1-ol
CID 66138218
3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol
CID 66136887
3-cyclohexylsulfanylbutan-1-ol
CID 66139047
3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol
CID 66139118
3-(3-amino-2-methylcyclopentyl)sulfanylbutan-1-ol
CID 66135991
2-(2-hydroxyethylsulfanyl)cyclopentan-1-ol
CID 60884188
cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol
CID 129322499
2-(4-hydroxybutan-2-ylsulfanyl)-4-methylcyclohexane-1-carboxylic acid
CID 66137766
2-(3-aminobutylsulfanyl)cycloheptan-1-ol
CID 66234828
2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-one
CID 66137047
2-(3-methylbutylsulfanyl)cyclohexan-1-ol
CID 107751872
2-(3-hydroxypropylsulfanyl)cyclopentan-1-ol
CID 66128927

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol (CID 102735775) is trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol is CC(CCO)S[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol?
The InChIKey is KWJQEYGVRIBWAC-CFCGPWAMSA-N. The full InChI is InChI=1S/C9H18O2S/c1-7(5-6-10)12-9-4-2-3-8(9)11/h7-11H,2-6H2,1H3/t7?,8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol?
trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol has a molecular weight of 190.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol is sourced from PubChem (CID 102735775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).