(1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol

C13H18OS — CID 11644249

IUPAC(1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
SMILESC[C@H]1CC[C@@H](O)[C@@H]1CSc1ccccc1
InChIInChI=1S/C13H18OS/c1-10-7-8-13(14)12(10)9-15-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+,13+/m0/s1
InChIKeyNFVPKIJRHZZPLK-CYZMBNFOSA-N
MW222.35 g/mol
LogP3.19
Rot. Bonds3

About (1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol

(1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol (PubChem CID 11644249) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is (1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
PubChem CID11644249
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name(1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
SMILESC[C@H]1CC[C@@H](O)[C@@H]1CSc1ccccc1
InChIInChI=1S/C13H18OS/c1-10-7-8-13(14)12(10)9-15-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+,13+/m0/s1
InChIKeyNFVPKIJRHZZPLK-CYZMBNFOSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropylmethylsulfanylbenzene
CID 579222
cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
CID 11218600
1,3-dimethyl-4-(phenylsulfanylmethyl)pyrrolidine
CID 71221184
trans-(2S,3S)-3-methyl-2-(phenylsulfanylmethyl)cycloheptan-1-one
CID 10377343
(1R,3S,6S,8R,10S)-8-hydroxy-3-methyl-10-(phenylsulfanylmethyl)-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one
CID 11088095
3-(phenylsulfanylmethyl)cyclobutan-1-one
CID 11148227
(2R,5R,6R)-2,6-dimethyl-5-(phenylsulfanylmethyl)-1,3-dioxan-4-one
CID 101060438
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355289
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355287
2-(2-phenylsulfanylethyl)cyclohexan-1-ol
CID 79228950
(2S,3R,6S)-2-methyl-6-phenylsulfanyloxan-3-ol
CID 143275725
ethane;phenylsulfanylmethylsulfanylbenzene
CID 158144370

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol?
The IUPAC name of (1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol (CID 11644249) is (1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol is C[C@H]1CC[C@@H](O)[C@@H]1CSc1ccccc1.
What is the InChIKey of (1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol?
The InChIKey is NFVPKIJRHZZPLK-CYZMBNFOSA-N. The full InChI is InChI=1S/C13H18OS/c1-10-7-8-13(14)12(10)9-15-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+,13+/m0/s1.
What are the key properties of (1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol?
(1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol has a molecular weight of 222.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 11644249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).