5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride

C11H18ClN3OS — CID 120909633

IUPAC5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride
SMILESCC1CN(Cc2cc(C(N)=O)cs2)CC1N.Cl
InChIInChI=1S/C11H17N3OS.ClH/c1-7-3-14(5-10(7)12)4-9-2-8(6-16-9)11(13)15;/h2,6-7,10H,3-5,12H2,1H3,(H2,13,15);1H
InChIKeyMLPUFQZIFJGKFC-UHFFFAOYSA-N
MW275.81 g/mol
LogP1.05
Rot. Bonds3

About 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride

5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride (PubChem CID 120909633) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride
PubChem CID120909633
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride
SMILESCC1CN(Cc2cc(C(N)=O)cs2)CC1N.Cl
InChIInChI=1S/C11H17N3OS.ClH/c1-7-3-14(5-10(7)12)4-9-2-8(6-16-9)11(13)15;/h2,6-7,10H,3-5,12H2,1H3,(H2,13,15);1H
InChIKeyMLPUFQZIFJGKFC-UHFFFAOYSA-N
XLogP1.05
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride 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 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride?
The IUPAC name of 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride (CID 120909633) is 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride is CC1CN(Cc2cc(C(N)=O)cs2)CC1N.Cl.
What is the InChIKey of 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride?
The InChIKey is MLPUFQZIFJGKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.ClH/c1-7-3-14(5-10(7)12)4-9-2-8(6-16-9)11(13)15;/h2,6-7,10H,3-5,12H2,1H3,(H2,13,15);1H.
What are the key properties of 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride?
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride has a molecular weight of 275.81 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120909633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).