3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide

C12H19N3O3S — CID 103171406

IUPAC3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1c(C)ccc(C)c1N
InChIInChI=1S/C12H19N3O3S/c1-8-4-5-9(2)12(11(8)13)19(17,18)15-7-6-10(16)14-3/h4-5,15H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyIQQIMHWXVXQSOK-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.30
Rot. Bonds5

About 3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide

3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 103171406) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID103171406
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1c(C)ccc(C)c1N
InChIInChI=1S/C12H19N3O3S/c1-8-4-5-9(2)12(11(8)13)19(17,18)15-7-6-10(16)14-3/h4-5,15H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyIQQIMHWXVXQSOK-UHFFFAOYSA-N
XLogP0.30
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(2-hydroxyethoxy)propyl]-3,6-dimethylbenzenesulfonamide
CID 106308656
2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
CID 103170957
2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide
CID 103171769
3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 79889074
2-amino-N-(4-methoxybutyl)-3,6-dimethylbenzenesulfonamide
CID 103171397
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylacetamide
CID 43452561
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 116791774
[2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7828802
3,4-dimethyl-5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]benzoic acid
CID 61067603
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 120569314
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide (CID 103171406) is 3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)CCNS(=O)(=O)c1c(C)ccc(C)c1N.
What is the InChIKey of 3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is IQQIMHWXVXQSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-4-5-9(2)12(11(8)13)19(17,18)15-7-6-10(16)14-3/h4-5,15H,6-7,13H2,1-3H3,(H,14,16).
What are the key properties of 3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 285.37 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 103171406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).