N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide

C15H25N3OS — CID 115985430

IUPACN-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
SMILESCSCC(C)N(C)CCC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C15H25N3OS/c1-11(10-20-4)18(3)9-8-15(19)17-14-7-5-6-13(16)12(14)2/h5-7,11H,8-10,16H2,1-4H3,(H,17,19)
InChIKeyREVFKVNGMIMHGH-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.59
Rot. Bonds7

About N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide

N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide (PubChem CID 115985430) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
PubChem CID115985430
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
SMILESCSCC(C)N(C)CCC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C15H25N3OS/c1-11(10-20-4)18(3)9-8-15(19)17-14-7-5-6-13(16)12(14)2/h5-7,11H,8-10,16H2,1-4H3,(H,17,19)
InChIKeyREVFKVNGMIMHGH-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
CID 106914626
3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 97324001
N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide
CID 43568706
N-(3-amino-2-methylphenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263763
N-(3-amino-2-methylphenyl)-3-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66102876
N-(5-amino-2-methylphenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985413
N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
CID 43570657
N-(3-amino-2-methylphenyl)-3-(1-hydroxypropan-2-ylsulfanyl)propanamide
CID 113373810
N-(3-amino-2-methylphenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286429
N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide
CID 43540741

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide (CID 115985430) is N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide is CSCC(C)N(C)CCC(=O)Nc1cccc(N)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide?
The InChIKey is REVFKVNGMIMHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-11(10-20-4)18(3)9-8-15(19)17-14-7-5-6-13(16)12(14)2/h5-7,11H,8-10,16H2,1-4H3,(H,17,19).
What are the key properties of N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide?
N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide has a molecular weight of 295.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide is sourced from PubChem (CID 115985430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).