2-(2-methylfuran-3-yl)sulfanylpentanoic acid

C10H14O3S — CID 107779094

IUPAC2-(2-methylfuran-3-yl)sulfanylpentanoic acid
SMILESCCCC(Sc1ccoc1C)C(=O)O
InChIInChI=1S/C10H14O3S/c1-3-4-9(10(11)12)14-8-5-6-13-7(8)2/h5-6,9H,3-4H2,1-2H3,(H,11,12)
InChIKeyRHCWPTXJCFMXFZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.93
Rot. Bonds5

About 2-(2-methylfuran-3-yl)sulfanylpentanoic acid

2-(2-methylfuran-3-yl)sulfanylpentanoic acid (PubChem CID 107779094) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanylpentanoic acid.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanylpentanoic acid
PubChem CID107779094
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name2-(2-methylfuran-3-yl)sulfanylpentanoic acid
SMILESCCCC(Sc1ccoc1C)C(=O)O
InChIInChI=1S/C10H14O3S/c1-3-4-9(10(11)12)14-8-5-6-13-7(8)2/h5-6,9H,3-4H2,1-2H3,(H,11,12)
InChIKeyRHCWPTXJCFMXFZ-UHFFFAOYSA-N
XLogP2.93
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-carboxybutylsulfanyl)benzoic acid
CID 71364453
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779054
(2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide
CID 99630869
2-(2,5-difluorophenyl)sulfanylpentanoic acid
CID 83037818
3-(2-methylfuran-3-yl)sulfanylpentan-1-amine
CID 107781103
2-pyrimidin-2-ylsulfanylpentanoic acid
CID 83038269
methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate
CID 107779007
2-methyl-4-(2-methylfuran-3-yl)sulfanyl-2-(propylamino)pentanoic acid
CID 107782178
ethyl 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107779061
2,2-dimethyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779028
3-(2-methylfuran-3-yl)sulfanylpentanal
CID 87362384
(2S)-2-[2-[[(2R)-2-methylpentanoyl]amino]phenyl]sulfanylpentanoic acid
CID 40803024

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)sulfanylpentanoic acid?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanylpentanoic acid (CID 107779094) is 2-(2-methylfuran-3-yl)sulfanylpentanoic acid.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanylpentanoic acid?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanylpentanoic acid is CCCC(Sc1ccoc1C)C(=O)O.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanylpentanoic acid?
The InChIKey is RHCWPTXJCFMXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-3-4-9(10(11)12)14-8-5-6-13-7(8)2/h5-6,9H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-methylfuran-3-yl)sulfanylpentanoic acid?
2-(2-methylfuran-3-yl)sulfanylpentanoic acid has a molecular weight of 214.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfanylpentanoic acid is sourced from PubChem (CID 107779094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).