N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide

C11H14N2OS — CID 61224307

IUPACN-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(CC#N)C(=O)c1sccc1C
InChIInChI=1S/C11H14N2OS/c1-3-6-13(7-5-12)11(14)10-9(2)4-8-15-10/h4,8H,3,6-7H2,1-2H3
InChIKeyRMRVKQPZNPHGAV-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.43
Rot. Bonds4

About N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide

N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide (PubChem CID 61224307) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide
PubChem CID61224307
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(CC#N)C(=O)c1sccc1C
InChIInChI=1S/C11H14N2OS/c1-3-6-13(7-5-12)11(14)10-9(2)4-8-15-10/h4,8H,3,6-7H2,1-2H3
InChIKeyRMRVKQPZNPHGAV-UHFFFAOYSA-N
XLogP2.43
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-3-methyl-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

Related Compounds

N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 61381686
N-(cyanomethyl)-4-hydroxy-2-methyl-N-propylbenzamide
CID 113341373
3-chloro-N-(cyanomethyl)-4-methyl-N-propylbenzamide
CID 63195064
3-bromo-N-propyl-N-prop-2-ynylthiophene-2-carboxamide
CID 78970456
N-butyl-N,3-dimethylthiophene-2-carboxamide
CID 86978133
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 91662519
2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid
CID 61389348
N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide
CID 62537191
3-amino-N-ethyl-N-propylthiophene-2-carboxamide
CID 61095166
2-chloro-N-(cyanomethyl)-5-hydroxy-N-propylbenzamide
CID 106500989
N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446513

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide?
The IUPAC name of N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide (CID 61224307) is N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide is CCCN(CC#N)C(=O)c1sccc1C.
What is the InChIKey of N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide?
The InChIKey is RMRVKQPZNPHGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-6-13(7-5-12)11(14)10-9(2)4-8-15-10/h4,8H,3,6-7H2,1-2H3.
What are the key properties of N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide?
N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide has a molecular weight of 222.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 61224307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).