(3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane

C14H20O2S — CID 134970894

IUPAC(3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane
SMILESCO[C@@H](C)[C@H]1C[C@H](C)C(Sc2ccccc2)O1
InChIInChI=1S/C14H20O2S/c1-10-9-13(11(2)15-3)16-14(10)17-12-7-5-4-6-8-12/h4-8,10-11,13-14H,9H2,1-3H3/t10-,11-,13+,14?/m0/s1
InChIKeyPAGSPHYZXHUSDE-DZFSTHSVSA-N
MW252.38 g/mol
LogP3.56
Rot. Bonds4

About (3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane

(3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane (PubChem CID 134970894) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is (3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane.

Molecular Properties

Compound Name(3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane
PubChem CID134970894
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name(3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane
SMILESCO[C@@H](C)[C@H]1C[C@H](C)C(Sc2ccccc2)O1
InChIInChI=1S/C14H20O2S/c1-10-9-13(11(2)15-3)16-14(10)17-12-7-5-4-6-8-12/h4-8,10-11,13-14H,9H2,1-3H3/t10-,11-,13+,14?/m0/s1
InChIKeyPAGSPHYZXHUSDE-DZFSTHSVSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-5-(phenylthio)tetrahydrofuran
CID 361780
2-Fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane
CID 18729283
(2R)-2-[(2R)-2-methyl-4-phenylsulfanylbutyl]oxirane
CID 11276103
(2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane
CID 11822031
2-Methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane
CID 15122645
9-(Phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane
CID 15122647
(2S,3S,5S)-5-(benzenesulfonyl)-3-methyl-2-prop-2-enyloxolane
CID 91992795
(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane
CID 134878521
[(2R)-2-ethenyl-6-[(2-methylpropan-2-yl)oxy]hexyl]sulfanylbenzene
CID 134940152
(2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-(1-methoxyethyl)-3-methyloxolane
CID 134973582
3,4-Dimethoxy-2-methyl-6-phenylsulfanyloxane
CID 176422144
1-(Oxolan-2-yl)-3-phenylsulfanylpropan-1-ol
CID 10082933

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane?
The IUPAC name of (3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane (CID 134970894) is (3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane.
What is the SMILES notation for (3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane?
The canonical SMILES for (3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane is CO[C@@H](C)[C@H]1C[C@H](C)C(Sc2ccccc2)O1.
What is the InChIKey of (3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane?
The InChIKey is PAGSPHYZXHUSDE-DZFSTHSVSA-N. The full InChI is InChI=1S/C14H20O2S/c1-10-9-13(11(2)15-3)16-14(10)17-12-7-5-4-6-8-12/h4-8,10-11,13-14H,9H2,1-3H3/t10-,11-,13+,14?/m0/s1.
What are the key properties of (3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane?
(3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane has a molecular weight of 252.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane is sourced from PubChem (CID 134970894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).