3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid

C11H11NO3S — CID 103250511

IUPAC3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNCc1ccsc1
InChIInChI=1S/C11H11NO3S/c13-11(14)10-9(1-3-15-10)6-12-5-8-2-4-16-7-8/h1-4,7,12H,5-6H2,(H,13,14)
InChIKeyMNYCQSIDITZQFF-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.33
Rot. Bonds5

About 3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid

3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid (PubChem CID 103250511) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid
PubChem CID103250511
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNCc1ccsc1
InChIInChI=1S/C11H11NO3S/c13-11(14)10-9(1-3-15-10)6-12-5-8-2-4-16-7-8/h1-4,7,12H,5-6H2,(H,13,14)
InChIKeyMNYCQSIDITZQFF-UHFFFAOYSA-N
XLogP2.33
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(4-bromophenyl)methylamino]methyl]furan-2-carboxylic acid
CID 103234932
3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid
CID 103240283
3-[(hexylamino)methyl]furan-2-carboxylic acid
CID 103251780
3-[(cyclohexylmethylamino)methyl]furan-2-carboxylic acid
CID 103237829
1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone
CID 61054256
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
CID 103263564
3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid
CID 103248940
3-[(3-methylsulfanylpropylamino)methyl]furan-2-carboxylic acid
CID 103251997
3-[[[3-(tert-butylamino)-3-oxopropyl]amino]methyl]furan-2-carboxylic acid
CID 103263112
3-[(3-methylpentan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103244049
3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid
CID 103268076
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308

Frequently Asked Questions

What is the IUPAC name of 3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid (CID 103250511) is 3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid is O=C(O)c1occc1CNCc1ccsc1.
What is the InChIKey of 3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid?
The InChIKey is MNYCQSIDITZQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-11(14)10-9(1-3-15-10)6-12-5-8-2-4-16-7-8/h1-4,7,12H,5-6H2,(H,13,14).
What are the key properties of 3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid?
3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103250511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).