2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide

C10H16N4O3S — CID 112674844

IUPAC2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide
SMILESCC(C)(Nc1cccc(S(N)(=O)=O)c1N)C(N)=O
InChIInChI=1S/C10H16N4O3S/c1-10(2,9(12)15)14-6-4-3-5-7(8(6)11)18(13,16)17/h3-5,14H,11H2,1-2H3,(H2,12,15)(H2,13,16,17)
InChIKeyITECDNGLAHNOSA-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.41
Rot. Bonds4

About 2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide

2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide (PubChem CID 112674844) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide
PubChem CID112674844
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide
SMILESCC(C)(Nc1cccc(S(N)(=O)=O)c1N)C(N)=O
InChIInChI=1S/C10H16N4O3S/c1-10(2,9(12)15)14-6-4-3-5-7(8(6)11)18(13,16)17/h3-5,14H,11H2,1-2H3,(H2,12,15)(H2,13,16,17)
InChIKeyITECDNGLAHNOSA-UHFFFAOYSA-N
XLogP-0.41
TPSA141.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-methyl-2-(2-methylsulfonylanilino)propanamide
CID 61220583
2-(2-ethylsulfonylanilino)-2-methylpropanamide
CID 61220775
2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
CID 112674675
2-amino-3-(2,3-dimethylanilino)benzenesulfonamide
CID 115992330
2-(3-amino-4-sulfamoylanilino)-2-methylpropanamide
CID 79467145
3-(2-amino-3-methylsulfonylanilino)-3-methylbutanamide
CID 106095627
2-[(2-amino-3-pyridinyl)amino]-2-methylpropanamide
CID 104540232
2-amino-3-(2,6-dichloroanilino)benzenesulfonamide
CID 115992809
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811
3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide
CID 106095636
2-methyl-2-[2-(trifluoromethyl)anilino]propanamide
CID 62312755

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide?
The IUPAC name of 2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide (CID 112674844) is 2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide.
What is the SMILES notation for 2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide?
The canonical SMILES for 2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide is CC(C)(Nc1cccc(S(N)(=O)=O)c1N)C(N)=O.
What is the InChIKey of 2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide?
The InChIKey is ITECDNGLAHNOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-10(2,9(12)15)14-6-4-3-5-7(8(6)11)18(13,16)17/h3-5,14H,11H2,1-2H3,(H2,12,15)(H2,13,16,17).
What are the key properties of 2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide?
2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide has a molecular weight of 272.33 g/mol, XLogP of -0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide is sourced from PubChem (CID 112674844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).