N-methyl-N-sulfamoylbutanamide

C5H12N2O3S — CID 173192281

IUPACN-methyl-N-sulfamoylbutanamide
SMILESCCCC(=O)N(C)S(N)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-3-4-5(8)7(2)11(6,9)10/h3-4H2,1-2H3,(H2,6,9,10)
InChIKeyIDVULHMUBJVOQG-UHFFFAOYSA-N
MW180.23 g/mol
LogP-0.55
Rot. Bonds3

About N-methyl-N-sulfamoylbutanamide

N-methyl-N-sulfamoylbutanamide (PubChem CID 173192281) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is N-methyl-N-sulfamoylbutanamide.

Molecular Properties

Compound NameN-methyl-N-sulfamoylbutanamide
PubChem CID173192281
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC NameN-methyl-N-sulfamoylbutanamide
SMILESCCCC(=O)N(C)S(N)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-3-4-5(8)7(2)11(6,9)10/h3-4H2,1-2H3,(H2,6,9,10)
InChIKeyIDVULHMUBJVOQG-UHFFFAOYSA-N
XLogP-0.55
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethylbutanamide;hydrochloride
CID 87498306
N-(aminomethyl)-N-methylbutanamide
CID 155070465
CID 18739109
CID 18739109
N-acetyl-N-methylbutanamide
CID 142271883
N-(2,2-difluoroethyl)-N-methylbutanamide
CID 115611582
N,N-dibromobutanamide
CID 154147629
N-(dimethylcarbamoyl)-N-methylbutanamide
CID 178179553
N-propylbutanehydrazide
CID 165487733
[methyl(sulfamoyl)amino]methane;hydrochloride
CID 18615116
N-tert-butylbutanehydrazide
CID 70295637
1-methyl-3-methylsulfonyl-1-sulfamoylurea
CID 91357985
1-[methyl(sulfinato)amino]-1-oxobutane
CID 91447373

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-sulfamoylbutanamide?
The IUPAC name of N-methyl-N-sulfamoylbutanamide (CID 173192281) is N-methyl-N-sulfamoylbutanamide.
What is the SMILES notation for N-methyl-N-sulfamoylbutanamide?
The canonical SMILES for N-methyl-N-sulfamoylbutanamide is CCCC(=O)N(C)S(N)(=O)=O.
What is the InChIKey of N-methyl-N-sulfamoylbutanamide?
The InChIKey is IDVULHMUBJVOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-3-4-5(8)7(2)11(6,9)10/h3-4H2,1-2H3,(H2,6,9,10).
What are the key properties of N-methyl-N-sulfamoylbutanamide?
N-methyl-N-sulfamoylbutanamide has a molecular weight of 180.23 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-sulfamoylbutanamide is sourced from PubChem (CID 173192281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).