N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide

C12H12N2OS — CID 63254340

IUPACN-[3-(aminomethyl)phenyl]thiophene-3-carboxamide
SMILESNCc1cccc(NC(=O)c2ccsc2)c1
InChIInChI=1S/C12H12N2OS/c13-7-9-2-1-3-11(6-9)14-12(15)10-4-5-16-8-10/h1-6,8H,7,13H2,(H,14,15)
InChIKeyJKCOFPKKDAYESG-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.46
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide

N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide (PubChem CID 63254340) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]thiophene-3-carboxamide
PubChem CID63254340
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-[3-(aminomethyl)phenyl]thiophene-3-carboxamide
SMILESNCc1cccc(NC(=O)c2ccsc2)c1
InChIInChI=1S/C12H12N2OS/c13-7-9-2-1-3-11(6-9)14-12(15)10-4-5-16-8-10/h1-6,8H,7,13H2,(H,14,15)
InChIKeyJKCOFPKKDAYESG-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-hydroxypropyl)phenyl]thiophene-3-carboxamide
CID 113372023
N-(3-carbamoylphenyl)thiophene-3-carboxamide
CID 17015852
N-[3-(aminomethyl)phenyl]-3-hydroxybenzamide
CID 16772041
N-[3-(sulfamoylamino)phenyl]thiophene-3-carboxamide
CID 60728385
N-(3-sulfamoylphenyl)thiophene-3-carboxamide
CID 60656415
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 71941024
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide
CID 112701135
N-[3-(aminomethyl)phenyl]-4-nitrobenzamide
CID 63254682
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 17444241
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide (CID 63254340) is N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide is NCc1cccc(NC(=O)c2ccsc2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is JKCOFPKKDAYESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-7-9-2-1-3-11(6-9)14-12(15)10-4-5-16-8-10/h1-6,8H,7,13H2,(H,14,15).
What are the key properties of N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide?
N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 63254340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).