methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate

C12H13NO3S — CID 106535038

IUPACmethyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate
SMILESCOC(=O)CC(C)Sc1nccc2occc12
InChIInChI=1S/C12H13NO3S/c1-8(7-11(14)15-2)17-12-9-4-6-16-10(9)3-5-13-12/h3-6,8H,7H2,1-2H3
InChIKeyXSBRWLKXYXXDCC-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.87
Rot. Bonds4

About methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate

methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate (PubChem CID 106535038) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate.

Molecular Properties

Compound Namemethyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate
PubChem CID106535038
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Namemethyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate
SMILESCOC(=O)CC(C)Sc1nccc2occc12
InChIInChI=1S/C12H13NO3S/c1-8(7-11(14)15-2)17-12-9-4-6-16-10(9)3-5-13-12/h3-6,8H,7H2,1-2H3
InChIKeyXSBRWLKXYXXDCC-UHFFFAOYSA-N
XLogP2.87
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate
CID 107779007
methyl 3-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]butanoate
CID 114570709
methyl 3-(4-methoxypyrimidin-2-yl)sulfanylbutanoate
CID 103670630
methyl 3-phenylsulfanylbutanoate
CID 10750953
methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate
CID 61318239
3-(5-methoxyisoquinolin-1-yl)sulfanylbutanoic acid
CID 106536837
methyl 3-[(6-acetyl-3-pyridinyl)sulfanyl]butanoate
CID 83118718
methyl 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanyl]butanoate
CID 114574111
methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoate
CID 4992492
2-(furo[3,2-c]pyridin-4-ylamino)-N-methylpropanamide
CID 106535100
methyl 3-(5,6-dimethylpyrazin-2-yl)sulfanylbutanoate
CID 114474956
(2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid
CID 122050846

Frequently Asked Questions

What is the IUPAC name of methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate?
The IUPAC name of methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate (CID 106535038) is methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate.
What is the SMILES notation for methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate?
The canonical SMILES for methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate is COC(=O)CC(C)Sc1nccc2occc12.
What is the InChIKey of methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate?
The InChIKey is XSBRWLKXYXXDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-8(7-11(14)15-2)17-12-9-4-6-16-10(9)3-5-13-12/h3-6,8H,7H2,1-2H3.
What are the key properties of methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate?
methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate has a molecular weight of 251.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate is sourced from PubChem (CID 106535038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).