5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid

C10H15NO3S — CID 112661456

IUPAC5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid
SMILESCSCCN(C)Cc1cc(C(=O)O)co1
InChIInChI=1S/C10H15NO3S/c1-11(3-4-15-2)6-9-5-8(7-14-9)10(12)13/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyUZDDHPHTYNDLJG-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.77
Rot. Bonds6

About 5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid

5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 112661456) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid
PubChem CID112661456
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid
SMILESCSCCN(C)Cc1cc(C(=O)O)co1
InChIInChI=1S/C10H15NO3S/c1-11(3-4-15-2)6-9-5-8(7-14-9)10(12)13/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyUZDDHPHTYNDLJG-UHFFFAOYSA-N
XLogP1.77
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 62268004
5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 63631786
5-[[methyl(pentan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 62268700
5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
CID 62268165
5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid
CID 62269958
5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid
CID 55053760
5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 62267288
5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 62267286
5-(hydroxymethyl)furan-3-carboxylic acid
CID 15422126
5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid
CID 62268888
5-(2-methylpropyl)furan-3-carboxylic acid
CID 127020960
5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid
CID 62269776

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid (CID 112661456) is 5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid is CSCCN(C)Cc1cc(C(=O)O)co1.
What is the InChIKey of 5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is UZDDHPHTYNDLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-11(3-4-15-2)6-9-5-8(7-14-9)10(12)13/h5,7H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid?
5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 229.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 112661456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).