N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride

C13H17ClN2OS — CID 119430331

IUPACN-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1cc2ccccc2s1.Cl
InChIInChI=1S/C13H16N2OS.ClH/c1-14-7-4-8-15-13(16)12-9-10-5-2-3-6-11(10)17-12;/h2-3,5-6,9,14H,4,7-8H2,1H3,(H,15,16);1H
InChIKeyOIRGPIZSIJVCFT-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.66
Rot. Bonds5

About N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride

N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119430331) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119430331
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1cc2ccccc2s1.Cl
InChIInChI=1S/C13H16N2OS.ClH/c1-14-7-4-8-15-13(16)12-9-10-5-2-3-6-11(10)17-12;/h2-3,5-6,9,14H,4,7-8H2,1H3,(H,15,16);1H
InChIKeyOIRGPIZSIJVCFT-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide
CID 107846874
5-(1-benzothiophene-2-carbonylamino)pentanoic acid
CID 62033392
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
N-(3-azidopropyl)-1-benzothiophene-2-carboxamide
CID 61406843
N-[3-(4-methylpiperazin-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 51073450
N-(3-amino-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62668366
N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide
CID 87108183
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783
N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 113372729
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1-benzothiophene-2-carboxamide
CID 64519148
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 47008465

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride (CID 119430331) is N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride is CNCCCNC(=O)c1cc2ccccc2s1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is OIRGPIZSIJVCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS.ClH/c1-14-7-4-8-15-13(16)12-9-10-5-2-3-6-11(10)17-12;/h2-3,5-6,9,14H,4,7-8H2,1H3,(H,15,16);1H.
What are the key properties of N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride?
N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119430331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).