3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid

C10H10N2O2S — CID 103255615

IUPAC3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CNn1cccc1
InChIInChI=1S/C10H10N2O2S/c13-10(14)9-8(3-6-15-9)7-11-12-4-1-2-5-12/h1-6,11H,7H2,(H,13,14)
InChIKeyGIDKGBZHWHGUIN-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.99
Rot. Bonds4

About 3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid

3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid (PubChem CID 103255615) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid
PubChem CID103255615
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CNn1cccc1
InChIInChI=1S/C10H10N2O2S/c13-10(14)9-8(3-6-15-9)7-11-12-4-1-2-5-12/h1-6,11H,7H2,(H,13,14)
InChIKeyGIDKGBZHWHGUIN-UHFFFAOYSA-N
XLogP1.99
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid
CID 14910436
3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid
CID 79090175
3-[(prop-2-enylamino)methyl]thiophene-2-carboxylic acid
CID 103230608
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
3-[(4-tert-butylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639899
3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103244644
3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63641091
3-[(cyclohexylamino)methyl]thiophene-2-carboxylic acid
CID 103230831
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 103240321
3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103231846
3-[(3-bromoanilino)methyl]thiophene-2-carboxylic acid
CID 103234465
3-[(3-chloroanilino)methyl]thiophene-2-carboxylic acid
CID 103234194

Frequently Asked Questions

What is the IUPAC name of 3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid (CID 103255615) is 3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1CNn1cccc1.
What is the InChIKey of 3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is GIDKGBZHWHGUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-10(14)9-8(3-6-15-9)7-11-12-4-1-2-5-12/h1-6,11H,7H2,(H,13,14).
What are the key properties of 3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid?
3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103255615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).