3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide

C12H18N2O3S — CID 64629768

IUPAC3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
SMILESCc1c(N)cccc1C(=O)NC(C)CS(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-8(7-18(3,16)17)14-12(15)10-5-4-6-11(13)9(10)2/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyZHAVRRUJWMHSAI-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.74
Rot. Bonds4

About 3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide

3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide (PubChem CID 64629768) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
PubChem CID64629768
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
SMILESCc1c(N)cccc1C(=O)NC(C)CS(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-8(7-18(3,16)17)14-12(15)10-5-4-6-11(13)9(10)2/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyZHAVRRUJWMHSAI-UHFFFAOYSA-N
XLogP0.74
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.74
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

3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43371726
3-amino-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401938
3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104122
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64641542
2-amino-N-[(2S)-4-methylsulfonylbutan-2-yl]benzamide;sulfane
CID 158216878
4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 113400327
2-amino-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzamide
CID 64643080
(2S)-2-[(3-amino-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107824809
3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 107121140
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
CID 18070893
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
(2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103927250

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide?
The IUPAC name of 3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide (CID 64629768) is 3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide?
The canonical SMILES for 3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide is Cc1c(N)cccc1C(=O)NC(C)CS(C)(=O)=O.
What is the InChIKey of 3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide?
The InChIKey is ZHAVRRUJWMHSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(7-18(3,16)17)14-12(15)10-5-4-6-11(13)9(10)2/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide?
3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide has a molecular weight of 270.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide is sourced from PubChem (CID 64629768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).