N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride

C15H21ClN2OS — CID 119665559

IUPACN-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cc2ccccc2s1.Cl
InChIInChI=1S/C15H20N2OS.ClH/c1-2-3-7-12(10-16)17-15(18)14-9-11-6-4-5-8-13(11)19-14;/h4-6,8-9,12H,2-3,7,10,16H2,1H3,(H,17,18);1H
InChIKeyINVRTIWDESJYHM-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.57
Rot. Bonds6

About N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119665559) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119665559
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC NameN-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cc2ccccc2s1.Cl
InChIInChI=1S/C15H20N2OS.ClH/c1-2-3-7-12(10-16)17-15(18)14-9-11-6-4-5-8-13(11)19-14;/h4-6,8-9,12H,2-3,7,10,16H2,1H3,(H,17,18);1H
InChIKeyINVRTIWDESJYHM-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1-benzothiophene-2-carbonylamino)hexanoic acid
CID 107144524
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N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide
CID 61407019
2-(1-benzothiophene-2-carbonylamino)butanoic acid
CID 43388189
N-(1-bromo-3-methoxypropan-2-yl)-1-benzothiophene-2-carboxamide
CID 114155290
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2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119613670
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
CID 110209283

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride (CID 119665559) is N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1cc2ccccc2s1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is INVRTIWDESJYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS.ClH/c1-2-3-7-12(10-16)17-15(18)14-9-11-6-4-5-8-13(11)19-14;/h4-6,8-9,12H,2-3,7,10,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 312.87 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119665559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).