4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride

C15H21ClN2OS — CID 120559866

IUPAC4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride
SMILESCC(N)CCC(=O)N(C)Cc1csc2ccccc12.Cl
InChIInChI=1S/C15H20N2OS.ClH/c1-11(16)7-8-15(18)17(2)9-12-10-19-14-6-4-3-5-13(12)14;/h3-6,10-11H,7-9,16H2,1-2H3;1H
InChIKeyXAWBWIVEZBYGSO-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.41
Rot. Bonds5

About 4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride

4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride (PubChem CID 120559866) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride
PubChem CID120559866
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride
SMILESCC(N)CCC(=O)N(C)Cc1csc2ccccc12.Cl
InChIInChI=1S/C15H20N2OS.ClH/c1-11(16)7-8-15(18)17(2)9-12-10-19-14-6-4-3-5-13(12)14;/h3-6,10-11H,7-9,16H2,1-2H3;1H
InChIKeyXAWBWIVEZBYGSO-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide
CID 86990643
2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide
CID 119956414
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166467
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
N-(1-benzothiophen-3-ylmethyl)-1-cyano-N-methylformamide
CID 115172418
1-N,4-N-bis(1-benzothiophen-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112827429
N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 75414970
1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 119281546
2-(2-aminoethyl)-N-(1-benzothiophen-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 120620568
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
1-benzothiophen-3-ylmethyl 4-methylpentanoate
CID 55885356

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride (CID 120559866) is 4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride is CC(N)CCC(=O)N(C)Cc1csc2ccccc12.Cl.
What is the InChIKey of 4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride?
The InChIKey is XAWBWIVEZBYGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS.ClH/c1-11(16)7-8-15(18)17(2)9-12-10-19-14-6-4-3-5-13(12)14;/h3-6,10-11H,7-9,16H2,1-2H3;1H.
What are the key properties of 4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride?
4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride has a molecular weight of 312.87 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride is sourced from PubChem (CID 120559866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).