methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate

C10H14O3S — CID 117241145

IUPACmethyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate
SMILESCOC(=O)C(CSC)c1ccc(C)o1
InChIInChI=1S/C10H14O3S/c1-7-4-5-9(13-7)8(6-14-3)10(11)12-2/h4-5,8H,6H2,1-3H3
InChIKeyMKMWWFAQQPWCCQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.21
Rot. Bonds4

About methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate

methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate (PubChem CID 117241145) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate
PubChem CID117241145
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Namemethyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate
SMILESCOC(=O)C(CSC)c1ccc(C)o1
InChIInChI=1S/C10H14O3S/c1-7-4-5-9(13-7)8(6-14-3)10(11)12-2/h4-5,8H,6H2,1-3H3
InChIKeyMKMWWFAQQPWCCQ-UHFFFAOYSA-N
XLogP2.21
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate
CID 117240986
methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate
CID 117241131
methyl 2-(3-hydroxyphenyl)-3-methylsulfanylpropanoate
CID 117243533
methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 43689060
methyl 4-amino-3-(5-methylfuran-2-yl)butanoate
CID 66099339
ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate
CID 11096752
3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid
CID 117241110
propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate
CID 102354808
methyl (3S)-3-amino-2,2-dimethyl-3-(5-methylfuran-2-yl)propanoate;hydrochloride
CID 171243740
methyl 2-(5-chlorofuran-2-yl)-3-(dimethylamino)propanoate
CID 117240819
2-[1-(5-methylfuran-2-yl)ethylamino]oxyacetamide
CID 112672888
2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid
CID 117241071

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate?
The IUPAC name of methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate (CID 117241145) is methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate.
What is the SMILES notation for methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate?
The canonical SMILES for methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate is COC(=O)C(CSC)c1ccc(C)o1.
What is the InChIKey of methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate?
The InChIKey is MKMWWFAQQPWCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-7-4-5-9(13-7)8(6-14-3)10(11)12-2/h4-5,8H,6H2,1-3H3.
What are the key properties of methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate?
methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate has a molecular weight of 214.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate is sourced from PubChem (CID 117241145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).