5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid

C13H15NO3S — CID 54980900

IUPAC5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid
SMILESCC(c1cccs1)N(C)Cc1ccc(C(=O)O)o1
InChIInChI=1S/C13H15NO3S/c1-9(12-4-3-7-18-12)14(2)8-10-5-6-11(17-10)13(15)16/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyRLIBCKRSCWYGJL-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.23
Rot. Bonds5

About 5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid

5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 54980900) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid
PubChem CID54980900
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid
SMILESCC(c1cccs1)N(C)Cc1ccc(C(=O)O)o1
InChIInChI=1S/C13H15NO3S/c1-9(12-4-3-7-18-12)14(2)8-10-5-6-11(17-10)13(15)16/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyRLIBCKRSCWYGJL-UHFFFAOYSA-N
XLogP3.23
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 62431529
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 56828599
2-methoxy-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 65339650
N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 55739537
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 62205503
1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one
CID 62051873
5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79084704
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
CID 62429055
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid (CID 54980900) is 5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid is CC(c1cccs1)N(C)Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is RLIBCKRSCWYGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-9(12-4-3-7-18-12)14(2)8-10-5-6-11(17-10)13(15)16/h3-7,9H,8H2,1-2H3,(H,15,16).
What are the key properties of 5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid?
5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 54980900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).