4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide

C17H19N3O2S — CID 143191807

IUPAC4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESNCC1CCCN1C(=O)c1ccc(-c2csc(C(N)=O)c2)cc1
InChIInChI=1S/C17H19N3O2S/c18-9-14-2-1-7-20(14)17(22)12-5-3-11(4-6-12)13-8-15(16(19)21)23-10-13/h3-6,8,10,14H,1-2,7,9,18H2,(H2,19,21)
InChIKeyOYNGFODBBIMPJH-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.08
Rot. Bonds4

About 4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide

4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 143191807) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID143191807
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESNCC1CCCN1C(=O)c1ccc(-c2csc(C(N)=O)c2)cc1
InChIInChI=1S/C17H19N3O2S/c18-9-14-2-1-7-20(14)17(22)12-5-3-11(4-6-12)13-8-15(16(19)21)23-10-13/h3-6,8,10,14H,1-2,7,9,18H2,(H2,19,21)
InChIKeyOYNGFODBBIMPJH-UHFFFAOYSA-N
XLogP2.08
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone
CID 119631128
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 81482957
[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119631709
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119630987
4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
CID 122565784
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
[2-(aminomethyl)pyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119634437
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide (CID 143191807) is 4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide is NCC1CCCN1C(=O)c1ccc(-c2csc(C(N)=O)c2)cc1.
What is the InChIKey of 4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is OYNGFODBBIMPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c18-9-14-2-1-7-20(14)17(22)12-5-3-11(4-6-12)13-8-15(16(19)21)23-10-13/h3-6,8,10,14H,1-2,7,9,18H2,(H2,19,21).
What are the key properties of 4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 143191807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).