N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide

C13H16N2OS — CID 115270213

IUPACN-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)C1CCC(C#N)CC1
InChIInChI=1S/C13H16N2OS/c1-15(13(16)12-3-2-8-17-12)11-6-4-10(9-14)5-7-11/h2-3,8,10-11H,4-7H2,1H3
InChIKeyJIHDABHDTDUREZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.90
Rot. Bonds2

About N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide

N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide (PubChem CID 115270213) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide
PubChem CID115270213
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)C1CCC(C#N)CC1
InChIInChI=1S/C13H16N2OS/c1-15(13(16)12-3-2-8-17-12)11-6-4-10(9-14)5-7-11/h2-3,8,10-11H,4-7H2,1H3
InChIKeyJIHDABHDTDUREZ-UHFFFAOYSA-N
XLogP2.90
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-cyanocyclohexyl)-N-methylthiophene-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-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide
CID 115270297
N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-carboxamide
CID 82744433
N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 60733247
N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 710672
N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 68937823
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
CID 80709531
N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride
CID 119553741
N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 75807762
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
N-(1-methylpiperidin-4-yl)-N-propylthiophene-2-carboxamide
CID 4231172

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide (CID 115270213) is N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide is CN(C(=O)c1cccs1)C1CCC(C#N)CC1.
What is the InChIKey of N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide?
The InChIKey is JIHDABHDTDUREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-15(13(16)12-3-2-8-17-12)11-6-4-10(9-14)5-7-11/h2-3,8,10-11H,4-7H2,1H3.
What are the key properties of N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide?
N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 115270213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).