N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride

C13H19ClN2OS — CID 119584220

IUPACN-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)C1CSc2ccccc21.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-9(7-14)15(2)13(16)11-8-17-12-6-4-3-5-10(11)12;/h3-6,9,11H,7-8,14H2,1-2H3;1H
InChIKeySFXZGQPUBNYXQQ-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.10
Rot. Bonds3

About N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride (PubChem CID 119584220) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
PubChem CID119584220
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)C1CSc2ccccc21.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-9(7-14)15(2)13(16)11-8-17-12-6-4-3-5-10(11)12;/h3-6,9,11H,7-8,14H2,1-2H3;1H
InChIKeySFXZGQPUBNYXQQ-UHFFFAOYSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119584567
2-[2,3-dihydro-1-benzothiophene-3-carbonyl(methyl)amino]acetic acid
CID 79213652
N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213509
3-[2,3-dihydro-1-benzothiophene-3-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 79212775
N-(1-aminobutan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214006
N-(2-bromoethyl)-N-pentan-3-yl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 80671289
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212255
N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79663417
N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214145
N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212256
1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one
CID 105086614

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride (CID 119584220) is N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride is CC(CN)N(C)C(=O)C1CSc2ccccc21.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride?
The InChIKey is SFXZGQPUBNYXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS.ClH/c1-9(7-14)15(2)13(16)11-8-17-12-6-4-3-5-10(11)12;/h3-6,9,11H,7-8,14H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride has a molecular weight of 286.83 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119584220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).