2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide

C8H18N2O3S — CID 137429540

IUPAC2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide
SMILESCNS(=O)(=O)CCCNC(=O)C(C)C
InChIInChI=1S/C8H18N2O3S/c1-7(2)8(11)10-5-4-6-14(12,13)9-3/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeyBZDASUZBRYWJOY-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.30
Rot. Bonds6

About 2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide

2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide (PubChem CID 137429540) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide
PubChem CID137429540
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide
SMILESCNS(=O)(=O)CCCNC(=O)C(C)C
InChIInChI=1S/C8H18N2O3S/c1-7(2)8(11)10-5-4-6-14(12,13)9-3/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeyBZDASUZBRYWJOY-UHFFFAOYSA-N
XLogP-0.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acamprosate Calcium
CID 155434
N-(3-sulfamoylpropyl)acetamide
CID 20459379
N-(2-sulfamoylethyl)acetamide
CID 21989478
N-propanoyltaurine
CID 172407762
N~1~-isobutyl-N~2~-methyl-N~2~-(methylsulfonyl)glycinamide
CID 30464341
(2S)-2-methyl-N-(2-methylsulfonylethyl)-3-sulfanylpropanamide
CID 72947097
N-ethyl-4-sulfamoylbutanamide
CID 23588047
3-[Dimethyl-[3-(2-methylpropanoylamino)propyl]azaniumyl]propane-1-sulfonate
CID 57941901
Magnesium(2+) 3-(acetylamino)propanesulphonate
CID 9886392
N-ethyl-3-(3,3,3-trifluoropropylsulfamoyl)propanamide
CID 156248314
4-(acetylsulfamoyl)-N-ethylbutanamide
CID 138964116
4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide
CID 138964149

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide (CID 137429540) is 2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide is CNS(=O)(=O)CCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide?
The InChIKey is BZDASUZBRYWJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-7(2)8(11)10-5-4-6-14(12,13)9-3/h7,9H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide?
2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide has a molecular weight of 222.31 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide is sourced from PubChem (CID 137429540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).