methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate

C10H15NO3S — CID 66217884

IUPACmethyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CSC(C)CN
InChIInChI=1S/C10H15NO3S/c1-7(5-11)15-6-9-8(3-4-14-9)10(12)13-2/h3-4,7H,5-6,11H2,1-2H3
InChIKeyVTJPKHIUZMLMPL-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.65
Rot. Bonds5

About methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate

methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate (PubChem CID 66217884) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate
PubChem CID66217884
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Namemethyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CSC(C)CN
InChIInChI=1S/C10H15NO3S/c1-7(5-11)15-6-9-8(3-4-14-9)10(12)13-2/h3-4,7H,5-6,11H2,1-2H3
InChIKeyVTJPKHIUZMLMPL-UHFFFAOYSA-N
XLogP1.65
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982
3-[(3-methoxycarbonylfuran-2-yl)methylsulfanyl]propanoic acid
CID 43093018
methyl 2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]furan-3-carboxylate
CID 24620958
methyl 2-[(4-amino-2-methylphenyl)sulfanylmethyl]furan-3-carboxylate
CID 43302927
methyl 2-propylfuran-3-carboxylate
CID 15686850
methyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate
CID 43213432
methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate
CID 55516580
methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate
CID 115772273
2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]benzoic acid
CID 43244832
2-[2-[(3-methoxycarbonylfuran-2-yl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 60713045
methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
CID 42936087
methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate
CID 55928864

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate?
The IUPAC name of methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate (CID 66217884) is methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate.
What is the SMILES notation for methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate?
The canonical SMILES for methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate is COC(=O)c1ccoc1CSC(C)CN.
What is the InChIKey of methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate?
The InChIKey is VTJPKHIUZMLMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-7(5-11)15-6-9-8(3-4-14-9)10(12)13-2/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate?
methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate has a molecular weight of 229.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate is sourced from PubChem (CID 66217884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).