N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride

C13H21ClN2OS — CID 119625677

IUPACN-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
SMILESCc1ccc(SCC(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-10-4-6-11(7-5-10)17-8-12(16)15-9-13(2,3)14;/h4-7H,8-9,14H2,1-3H3,(H,15,16);1H
InChIKeyYXCHQKBOWVMPRW-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.36
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride (PubChem CID 119625677) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
PubChem CID119625677
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC NameN-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
SMILESCc1ccc(SCC(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-10-4-6-11(7-5-10)17-8-12(16)15-9-13(2,3)14;/h4-7H,8-9,14H2,1-3H3,(H,15,16);1H
InChIKeyYXCHQKBOWVMPRW-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
N-carbamoyl-2-(4-methylphenyl)sulfanylacetamide
CID 8752877
N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride
CID 119640688
ethyl 4-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoate
CID 60625103
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
tert-butyl N-[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamate
CID 2219793
N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
CID 119641427
N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46587644
2-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethoxy)acetamide
CID 81341154
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 103686179

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride (CID 119625677) is N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride is Cc1ccc(SCC(=O)NCC(C)(C)N)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride?
The InChIKey is YXCHQKBOWVMPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-10-4-6-11(7-5-10)17-8-12(16)15-9-13(2,3)14;/h4-7H,8-9,14H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119625677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).