2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide

C12H18N2OS — CID 62834107

IUPAC2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide
SMILESCNC(C)(C)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C12H18N2OS/c1-12(2,13-3)11(15)14-9-6-5-7-10(8-9)16-4/h5-8,13H,1-4H3,(H,14,15)
InChIKeyWUBKSZYFGGUCBW-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.35
Rot. Bonds4

About 2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide

2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 62834107) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide
PubChem CID62834107
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide
SMILESCNC(C)(C)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C12H18N2OS/c1-12(2,13-3)11(15)14-9-6-5-7-10(8-9)16-4/h5-8,13H,1-4H3,(H,14,15)
InChIKeyWUBKSZYFGGUCBW-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
2-methyl-2-(methylamino)-N-(3-sulfamoylphenyl)propanamide
CID 62834489
(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119671133
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
N-methyl-2-(3-methylsulfanylanilino)acetamide
CID 28568297
(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 38886217
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944
2,2-dimethyl-3-[(3-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 113308072
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide (CID 62834107) is 2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide is CNC(C)(C)C(=O)Nc1cccc(SC)c1.
What is the InChIKey of 2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is WUBKSZYFGGUCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-12(2,13-3)11(15)14-9-6-5-7-10(8-9)16-4/h5-8,13H,1-4H3,(H,14,15).
What are the key properties of 2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide?
2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 238.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 62834107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).