N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride

C11H15ClN2OS — CID 119383954

IUPACN-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C11H14N2OS.ClH/c12-5-6-13-11(14)10-7-8-3-1-2-4-9(8)15-10;/h1-4,10H,5-7,12H2,(H,13,14);1H
InChIKeyQIDGGDKEYVCPQP-UHFFFAOYSA-N
MW258.77 g/mol
LogP1.20
Rot. Bonds3

About N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride

N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119383954) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119383954
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC NameN-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C11H14N2OS.ClH/c12-5-6-13-11(14)10-7-8-3-1-2-4-9(8)15-10;/h1-4,10H,5-7,12H2,(H,13,14);1H
InChIKeyQIDGGDKEYVCPQP-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217188
N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309548
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51311123
N-[3-[benzyl(methyl)amino]propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42896202
(2R)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804538
N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119536021
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26015643
N-(2-benzylsulfinylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 146121654

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride (CID 119383954) is N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride is Cl.NCCNC(=O)C1Cc2ccccc2S1.
What is the InChIKey of N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is QIDGGDKEYVCPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS.ClH/c12-5-6-13-11(14)10-7-8-3-1-2-4-9(8)15-10;/h1-4,10H,5-7,12H2,(H,13,14);1H.
What are the key properties of N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 258.77 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119383954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).