2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride

C15H25ClN2OS — CID 119803433

IUPAC2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1sc2c(c1C)CCCC2.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-4-9-15(3,16)14(18)17-13-10(2)11-7-5-6-8-12(11)19-13;/h4-9,16H2,1-3H3,(H,17,18);1H
InChIKeyHKYCBIKMPHJCSQ-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.81
Rot. Bonds4

About 2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride

2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride (PubChem CID 119803433) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride
PubChem CID119803433
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1sc2c(c1C)CCCC2.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-4-9-15(3,16)14(18)17-13-10(2)11-7-5-6-8-12(11)19-13;/h4-9,16H2,1-3H3,(H,17,18);1H
InChIKeyHKYCBIKMPHJCSQ-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride (CID 119803433) is 2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1sc2c(c1C)CCCC2.Cl.
What is the InChIKey of 2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride?
The InChIKey is HKYCBIKMPHJCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-4-9-15(3,16)14(18)17-13-10(2)11-7-5-6-8-12(11)19-13;/h4-9,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride?
2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119803433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).