2-methyl-N-(2-sulfamoylethyl)butanamide

C7H16N2O3S — CID 59439680

IUPAC2-methyl-N-(2-sulfamoylethyl)butanamide
SMILESCCC(C)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-3-6(2)7(10)9-4-5-13(8,11)12/h6H,3-5H2,1-2H3,(H,9,10)(H2,8,11,12)
InChIKeyCKGJUFJITQTZJP-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.56
Rot. Bonds5

About 2-methyl-N-(2-sulfamoylethyl)butanamide

2-methyl-N-(2-sulfamoylethyl)butanamide (PubChem CID 59439680) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-methyl-N-(2-sulfamoylethyl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(2-sulfamoylethyl)butanamide
PubChem CID59439680
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-methyl-N-(2-sulfamoylethyl)butanamide
SMILESCCC(C)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-3-6(2)7(10)9-4-5-13(8,11)12/h6H,3-5H2,1-2H3,(H,9,10)(H2,8,11,12)
InChIKeyCKGJUFJITQTZJP-UHFFFAOYSA-N
XLogP-0.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 4295316
N-(3-sulfamoylpropyl)acetamide
CID 20459379
1-(ethylsulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 4580597
Ctk1C7007
CID 10243852
N-butyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3469525
N-Butyl-1-(propane-1-sulfonyl)piperidine-4-carboxamide
CID 3559415
Valyltaurine
CID 14332601
N-ethyl-4-sulfamoylbutanamide
CID 23588047
3-[Dimethyl-[3-(2-methylpropanoylamino)propyl]azaniumyl]propane-1-sulfonate
CID 57941901
4-(acetylsulfamoyl)-N-ethylbutanamide
CID 138964116
4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide
CID 138964149
N-methyl-1-propylsulfonylpiperidine-4-carboxamide
CID 4345663

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-sulfamoylethyl)butanamide?
The IUPAC name of 2-methyl-N-(2-sulfamoylethyl)butanamide (CID 59439680) is 2-methyl-N-(2-sulfamoylethyl)butanamide.
What is the SMILES notation for 2-methyl-N-(2-sulfamoylethyl)butanamide?
The canonical SMILES for 2-methyl-N-(2-sulfamoylethyl)butanamide is CCC(C)C(=O)NCCS(N)(=O)=O.
What is the InChIKey of 2-methyl-N-(2-sulfamoylethyl)butanamide?
The InChIKey is CKGJUFJITQTZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-3-6(2)7(10)9-4-5-13(8,11)12/h6H,3-5H2,1-2H3,(H,9,10)(H2,8,11,12).
What are the key properties of 2-methyl-N-(2-sulfamoylethyl)butanamide?
2-methyl-N-(2-sulfamoylethyl)butanamide has a molecular weight of 208.28 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-sulfamoylethyl)butanamide is sourced from PubChem (CID 59439680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).