(2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol

C11H16O2S2 — CID 54426789

IUPAC(2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol
SMILESCSc1cc([C@@]2(O)CCO[C@@H](C)C2)cs1
InChIInChI=1S/C11H16O2S2/c1-8-6-11(12,3-4-13-8)9-5-10(14-2)15-7-9/h5,7-8,12H,3-4,6H2,1-2H3/t8-,11+/m0/s1
InChIKeyWEQYEMKTBPVEIY-GZMMTYOYSA-N
MW244.38 g/mol
LogP2.86
Rot. Bonds2

About (2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol

(2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol (PubChem CID 54426789) has the molecular formula C11H16O2S2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol.

Molecular Properties

Compound Name(2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol
PubChem CID54426789
Molecular FormulaC11H16O2S2
Molecular Weight244.38 g/mol
Exact Mass244.06
IUPAC Name(2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol
SMILESCSc1cc([C@@]2(O)CCO[C@@H](C)C2)cs1
InChIInChI=1S/C11H16O2S2/c1-8-6-11(12,3-4-13-8)9-5-10(14-2)15-7-9/h5,7-8,12H,3-4,6H2,1-2H3/t8-,11+/m0/s1
InChIKeyWEQYEMKTBPVEIY-GZMMTYOYSA-N
XLogP2.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one
CID 70143749
6-[4-[(2S,4R)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methylquinolin-2-one
CID 22860812
6-[4-[(2S,4R)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3,4-dihydroquinoline-2-thione
CID 22860813
2-methyl-4-thiophen-3-yloxan-4-ol
CID 18996129
2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol
CID 164648675
4-[3-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]-2-methyloxan-4-ol
CID 19764774
3-[3-[(2S,4R)-4-hydroxy-2-methyloxan-4-yl]phenyl]sulfanylpropanoic acid
CID 90690078
(2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol
CID 67833934
8-[3-fluoro-5-[(2S,4R)-4-hydroxy-2-methyloxan-4-yl]phenyl]sulfanyl-1-methyl-3,4-dihydroquinolin-2-one
CID 67624210
2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149523
3-methyl-1-(5-methylthiophen-3-yl)cyclobutan-1-ol
CID 103564638
4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol
CID 114635799

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol?
The IUPAC name of (2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol (CID 54426789) is (2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol.
What is the SMILES notation for (2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol?
The canonical SMILES for (2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol is CSc1cc([C@@]2(O)CCO[C@@H](C)C2)cs1.
What is the InChIKey of (2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol?
The InChIKey is WEQYEMKTBPVEIY-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H16O2S2/c1-8-6-11(12,3-4-13-8)9-5-10(14-2)15-7-9/h5,7-8,12H,3-4,6H2,1-2H3/t8-,11+/m0/s1.
What are the key properties of (2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol?
(2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol has a molecular weight of 244.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-methyl-4-(5-methylsulfanylthiophen-3-yl)oxan-4-ol is sourced from PubChem (CID 54426789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).