N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide

C14H18N2OS — CID 115270297

IUPACN-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)C1CCC(CC#N)CC1
InChIInChI=1S/C14H18N2OS/c1-16(14(17)13-3-2-10-18-13)12-6-4-11(5-7-12)8-9-15/h2-3,10-12H,4-8H2,1H3
InChIKeyDZUUMQZRUUMBQI-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.29
Rot. Bonds3

About N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide

N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide (PubChem CID 115270297) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide
PubChem CID115270297
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)C1CCC(CC#N)CC1
InChIInChI=1S/C14H18N2OS/c1-16(14(17)13-3-2-10-18-13)12-6-4-11(5-7-12)8-9-15/h2-3,10-12H,4-8H2,1H3
InChIKeyDZUUMQZRUUMBQI-UHFFFAOYSA-N
XLogP3.29
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanocyclohexyl)-N-methylthiophene-2-carboxamide
CID 115270213
N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 710672
N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 60733247
N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-carboxamide
CID 82744433
N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71642081
2-amino-N-(4-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 115286803
methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
CID 80709531
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119623355
N,N-diethylthiophene-2-carboxamide
CID 962897
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119623354
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide (CID 115270297) is N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide is CN(C(=O)c1cccs1)C1CCC(CC#N)CC1.
What is the InChIKey of N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide?
The InChIKey is DZUUMQZRUUMBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16(14(17)13-3-2-10-18-13)12-6-4-11(5-7-12)8-9-15/h2-3,10-12H,4-8H2,1H3.
What are the key properties of N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide?
N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 115270297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).