cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol

C14H20OS — CID 11218600

IUPACcis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
SMILESCC1(C)CC[C@@H](O)[C@@H]1CSc1ccccc1
InChIInChI=1S/C14H20OS/c1-14(2)9-8-13(15)12(14)10-16-11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyKOPWXBFXRCDMKN-QWHCGFSZSA-N
MW236.38 g/mol
LogP3.58
Rot. Bonds3

About cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol

cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol (PubChem CID 11218600) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
PubChem CID11218600
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Namecis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
SMILESCC1(C)CC[C@@H](O)[C@@H]1CSc1ccccc1
InChIInChI=1S/C14H20OS/c1-14(2)9-8-13(15)12(14)10-16-11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyKOPWXBFXRCDMKN-QWHCGFSZSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2R)-2-[2,2-bis(phenylsulfanyl)ethyl]-3,3-dimethylcyclohexan-1-ol
CID 11428732
(1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
CID 11644249
cyclopropylmethylsulfanylbenzene
CID 579222
3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol
CID 116539879
(2S,5S)-2-methoxy-2-methyl-5-(phenylsulfanylmethyl)oxolane
CID 100954393
2-(phenylsulfanylmethyl)spiro[2.2]pentane
CID 10535698
2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol
CID 79866781
cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine
CID 12996598
3,3-dimethylcyclopentane-1,2-diol
CID 22245615
2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol
CID 102636673
4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine
CID 18723211
(3aR,4S,6R,7R,7aR)-7-hydroxy-2,2-dimethyl-4-(phenylsulfanylmethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-olate
CID 102017604

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol (CID 11218600) is cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol is CC1(C)CC[C@@H](O)[C@@H]1CSc1ccccc1.
What is the InChIKey of cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol?
The InChIKey is KOPWXBFXRCDMKN-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H20OS/c1-14(2)9-8-13(15)12(14)10-16-11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol?
cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol has a molecular weight of 236.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 11218600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).