N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide

C10H16N2OS2 — CID 119995733

IUPACN-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCC(C)CN
InChIInChI=1S/C10H16N2OS2/c1-7(5-11)6-12-10(13)9-8(14-2)3-4-15-9/h3-4,7H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyORKGNMRRGKNCNF-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.79
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide

N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide (PubChem CID 119995733) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide
PubChem CID119995733
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC NameN-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCC(C)CN
InChIInChI=1S/C10H16N2OS2/c1-7(5-11)6-12-10(13)9-8(14-2)3-4-15-9/h3-4,7H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyORKGNMRRGKNCNF-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-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 N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide (CID 119995733) is N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide is CSc1ccsc1C(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is ORKGNMRRGKNCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-7(5-11)6-12-10(13)9-8(14-2)3-4-15-9/h3-4,7H,5-6,11H2,1-2H3,(H,12,13).
What are the key properties of N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide?
N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 244.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 119995733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).