N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide

C14H22N2OS2 — CID 119589249

IUPACN-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C14H22N2OS2/c1-18-12-7-8-19-13(12)14(17)16-11(9-15)10-5-3-2-4-6-10/h7-8,10-11H,2-6,9,15H2,1H3,(H,16,17)
InChIKeyDTNXEEUCWHEGQA-UHFFFAOYSA-N
MW298.48 g/mol
LogP3.11
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide

N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide (PubChem CID 119589249) has the molecular formula C14H22N2OS2 and a molecular weight of 298.48 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide
PubChem CID119589249
Molecular FormulaC14H22N2OS2
Molecular Weight298.48 g/mol
Exact Mass298.12
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C14H22N2OS2/c1-18-12-7-8-19-13(12)14(17)16-11(9-15)10-5-3-2-4-6-10/h7-8,10-11H,2-6,9,15H2,1H3,(H,16,17)
InChIKeyDTNXEEUCWHEGQA-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide
CID 154578192
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
CID 106737308
N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119619363
N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 119617828
N-(2-amino-1-cyclopentylethyl)-5-ethylthiophene-2-carboxamide
CID 106737412
N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
CID 119614072
N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 122080623
N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide
CID 119995733
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide
CID 97062231
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
CID 81487271

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide (CID 119589249) is N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide is CSc1ccsc1C(=O)NC(CN)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is DTNXEEUCWHEGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS2/c1-18-12-7-8-19-13(12)14(17)16-11(9-15)10-5-3-2-4-6-10/h7-8,10-11H,2-6,9,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide?
N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 298.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 119589249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).