N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide

C13H20N2OS — CID 119995100

IUPACN-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NCC(C)CN
InChIInChI=1S/C13H20N2OS/c1-10(7-14)8-15-13(16)9-17-12-6-4-3-5-11(12)2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyHWUABFDLQPFPAA-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.80
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide

N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 119995100) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID119995100
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NCC(C)CN
InChIInChI=1S/C13H20N2OS/c1-10(7-14)8-15-13(16)9-17-12-6-4-3-5-11(12)2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyHWUABFDLQPFPAA-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119586311
2-(2-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 114618800
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 125175442
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
N-[3-(methylamino)propyl]-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119430704
N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide
CID 119996572
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 113462669
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 2574368

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide (CID 119995100) is N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is HWUABFDLQPFPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(7-14)8-15-13(16)9-17-12-6-4-3-5-11(12)2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide?
N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 252.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 119995100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).