(2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane

C15H20OS — CID 134927737

IUPAC(2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane
SMILESC[C@@H]1CO[C@@H]1C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C15H20OS/c1-12-11-16-14(12)15(9-5-6-10-15)17-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3/t12-,14+/m1/s1
InChIKeyWUNRLCHLXBZIRR-OCCSQVGLSA-N
MW248.39 g/mol
LogP4.13
Rot. Bonds3

About (2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane

(2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane (PubChem CID 134927737) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is (2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane.

Molecular Properties

Compound Name(2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane
PubChem CID134927737
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name(2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane
SMILESC[C@@H]1CO[C@@H]1C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C15H20OS/c1-12-11-16-14(12)15(9-5-6-10-15)17-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3/t12-,14+/m1/s1
InChIKeyWUNRLCHLXBZIRR-OCCSQVGLSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Phenylsulfanylcyclopentyl)propane-1,3-diol
CID 10956055
(1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
CID 14120595
3,5-Dimethyl-2-pentan-2-yl-4-phenylsulfanyl-2,3-dihydrofuran
CID 21581409
(Phenylthio)acetic acid, 1-cyclopentylethyl ester
CID 533052
2-Methyl-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
CID 10538407
(2R)-2-[(2R)-2-methyl-4-phenylsulfanylbutyl]oxirane
CID 11276103
2-(1-Phenylsulfanylcyclohexyl)oxolane
CID 11425510
(1S,2S)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
CID 14120594
(3R,5Z)-6,10-dimethyl-10-phenylsulfanyl-3-prop-1-en-2-ylcyclodec-5-en-1-ol
CID 14969023
(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane
CID 15314914
(2S,3R)-2-(3,7-dimethyloctyl)-2-methyl-3-(phenylsulfanylmethyl)oxirane
CID 134881675
(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane
CID 134927612

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane?
The IUPAC name of (2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane (CID 134927737) is (2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane.
What is the SMILES notation for (2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane?
The canonical SMILES for (2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane is C[C@@H]1CO[C@@H]1C1(Sc2ccccc2)CCCC1.
What is the InChIKey of (2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane?
The InChIKey is WUNRLCHLXBZIRR-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H20OS/c1-12-11-16-14(12)15(9-5-6-10-15)17-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3/t12-,14+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane?
(2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane has a molecular weight of 248.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane is sourced from PubChem (CID 134927737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).