2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide

C9H20N2O3S — CID 129259538

IUPAC2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide
SMILESCNS(=O)(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O3S/c1-9(2,3)8(12)11-6-5-7-15(13,14)10-4/h10H,5-7H2,1-4H3,(H,11,12)
InChIKeyRVYWQFLANISUMU-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.09
Rot. Bonds5

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

2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide (PubChem CID 129259538) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide
PubChem CID129259538
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide
SMILESCNS(=O)(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O3S/c1-9(2,3)8(12)11-6-5-7-15(13,14)10-4/h10H,5-7H2,1-4H3,(H,11,12)
InChIKeyRVYWQFLANISUMU-UHFFFAOYSA-N
XLogP0.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acamprosate Calcium
CID 155434
N-(3-sulfamoylpropyl)acetamide
CID 20459379
N-(2-sulfamoylethyl)acetamide
CID 21989478
N-propanoyltaurine
CID 172407762
Pivaloyltaurine
CID 194447
2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64123102
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 2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide (CID 129259538) is 2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide is CNS(=O)(=O)CCCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide?
The InChIKey is RVYWQFLANISUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9(2,3)8(12)11-6-5-7-15(13,14)10-4/h10H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide?
2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide has a molecular weight of 236.34 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(methylsulfamoyl)propyl]propanamide is sourced from PubChem (CID 129259538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).