N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide

C14H22N2O2S — CID 107753806

IUPACN-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide
SMILESCCC(C)CS(=O)CC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C14H22N2O2S/c1-4-10(2)8-19(18)9-14(17)16-13-7-5-6-12(15)11(13)3/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyKWWPSNQOICAQRO-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.31
Rot. Bonds6

About N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide

N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide (PubChem CID 107753806) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide
PubChem CID107753806
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide
SMILESCCC(C)CS(=O)CC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C14H22N2O2S/c1-4-10(2)8-19(18)9-14(17)16-13-7-5-6-12(15)11(13)3/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyKWWPSNQOICAQRO-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide 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

N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753768
N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide
CID 107753805
N-(3-amino-2-methylphenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286429
N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide
CID 43272512
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751663
N-(3-amino-2-methylphenyl)-3-pentylsulfinylpropanamide
CID 107753558
N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide
CID 62805167
N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide
CID 16779035
N-(3-amino-2-methylphenyl)-3-methylbut-2-enamide
CID 83505608
N-(3-amino-2-methylphenyl)-3-tert-butylsulfinylpropanamide
CID 61304225
N-(3-amino-2-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505272
N-(3-amino-2-methylphenyl)-3-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66102876

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide (CID 107753806) is N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide is CCC(C)CS(=O)CC(=O)Nc1cccc(N)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide?
The InChIKey is KWWPSNQOICAQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-10(2)8-19(18)9-14(17)16-13-7-5-6-12(15)11(13)3/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide?
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.31, 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-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide is sourced from PubChem (CID 107753806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).