3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide

C15H25N3OS2 — CID 103506771

IUPAC3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N2CC(C)C(C)C2)c(SC)c1N
InChIInChI=1S/C15H25N3OS2/c1-5-6-17-14(19)12-11(16)13(20-4)15(21-12)18-7-9(2)10(3)8-18/h9-10H,5-8,16H2,1-4H3,(H,17,19)
InChIKeyLGKQKWMBZUVQEC-UHFFFAOYSA-N
MW327.52 g/mol
LogP3.28
Rot. Bonds5

About 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide

3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide (PubChem CID 103506771) has the molecular formula C15H25N3OS2 and a molecular weight of 327.52 g/mol. Its IUPAC name is 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
PubChem CID103506771
Molecular FormulaC15H25N3OS2
Molecular Weight327.52 g/mol
Exact Mass327.14
IUPAC Name3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N2CC(C)C(C)C2)c(SC)c1N
InChIInChI=1S/C15H25N3OS2/c1-5-6-17-14(19)12-11(16)13(20-4)15(21-12)18-7-9(2)10(3)8-18/h9-10H,5-8,16H2,1-4H3,(H,17,19)
InChIKeyLGKQKWMBZUVQEC-UHFFFAOYSA-N
XLogP3.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide (CID 103506771) is 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(N2CC(C)C(C)C2)c(SC)c1N.
What is the InChIKey of 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide?
The InChIKey is LGKQKWMBZUVQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS2/c1-5-6-17-14(19)12-11(16)13(20-4)15(21-12)18-7-9(2)10(3)8-18/h9-10H,5-8,16H2,1-4H3,(H,17,19).
What are the key properties of 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide?
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide has a molecular weight of 327.52 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103506771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).