5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide

C16H19N3OS — CID 120770280

IUPAC5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C16H19N3OS/c17-15-9-19(7-13-6-12(10-21-13)16(18)20)8-14(15)11-4-2-1-3-5-11/h1-6,10,14-15H,7-9,17H2,(H2,18,20)/t14-,15+/m0/s1
InChIKeyDJCNJTKADGJDPW-LSDHHAIUSA-N
MW301.42 g/mol
LogP1.77
Rot. Bonds4

About 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide

5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide (PubChem CID 120770280) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide
PubChem CID120770280
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C16H19N3OS/c17-15-9-19(7-13-6-12(10-21-13)16(18)20)8-14(15)11-4-2-1-3-5-11/h1-6,10,14-15H,7-9,17H2,(H2,18,20)/t14-,15+/m0/s1
InChIKeyDJCNJTKADGJDPW-LSDHHAIUSA-N
XLogP1.77
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride
CID 120909633
5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide
CID 136519631
5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide
CID 124725495
(3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 120769866
(3S,4R)-1-[(5-bromothiophen-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120760875
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 120746789
N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide
CID 120762205
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 120762003
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 120760678
(3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761907
3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide
CID 114263409
(3S,4R)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769889

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide (CID 120770280) is 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1.
What is the InChIKey of 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide?
The InChIKey is DJCNJTKADGJDPW-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-15-9-19(7-13-6-12(10-21-13)16(18)20)8-14(15)11-4-2-1-3-5-11/h1-6,10,14-15H,7-9,17H2,(H2,18,20)/t14-,15+/m0/s1.
What are the key properties of 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide?
5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 120770280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).