N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride

C14H17ClN2OS — CID 119613670

IUPACN-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cc2ccccc2s1)C1CC1
InChIInChI=1S/C14H16N2OS.ClH/c15-8-11(9-5-6-9)16-14(17)13-7-10-3-1-2-4-12(10)18-13;/h1-4,7,9,11H,5-6,8,15H2,(H,16,17);1H
InChIKeyFGAWVJPPHAIFEW-UHFFFAOYSA-N
MW296.82 g/mol
LogP2.79
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119613670) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119613670
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cc2ccccc2s1)C1CC1
InChIInChI=1S/C14H16N2OS.ClH/c15-8-11(9-5-6-9)16-14(17)13-7-10-3-1-2-4-12(10)18-13;/h1-4,7,9,11H,5-6,8,15H2,(H,16,17);1H
InChIKeyFGAWVJPPHAIFEW-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 106737595
N-(2-amino-1-cyclopropylethyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 119614376
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
N-(2-amino-1-cyclohexylethyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 119590036
N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119609795
N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
CID 143199386
N-(2-amino-1-cyclopropylethyl)-5-chlorothiophene-2-carboxamide;hydrochloride
CID 119617339
N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485
N-[cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 87384206
N-(2-amino-1-cyclopropylethyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119614890
N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119665559
N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 86813170

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride (CID 119613670) is N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1cc2ccccc2s1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is FGAWVJPPHAIFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS.ClH/c15-8-11(9-5-6-9)16-14(17)13-7-10-3-1-2-4-12(10)18-13;/h1-4,7,9,11H,5-6,8,15H2,(H,16,17);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 296.82 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119613670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).