3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide

C8H19N3O3S — CID 106336943

IUPAC3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide
SMILESCNS(=O)(=O)CCNC(=O)CC(C)(C)N
InChIInChI=1S/C8H19N3O3S/c1-8(2,9)6-7(12)11-4-5-15(13,14)10-3/h10H,4-6,9H2,1-3H3,(H,11,12)
InChIKeyXZPOTDSSDVQZIB-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.22
Rot. Bonds6

About 3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide

3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide (PubChem CID 106336943) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide
PubChem CID106336943
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide
SMILESCNS(=O)(=O)CCNC(=O)CC(C)(C)N
InChIInChI=1S/C8H19N3O3S/c1-8(2,9)6-7(12)11-4-5-15(13,14)10-3/h10H,4-6,9H2,1-3H3,(H,11,12)
InChIKeyXZPOTDSSDVQZIB-UHFFFAOYSA-N
XLogP-1.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106337531
2-methyl-2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 106336691
4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide
CID 103810364
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 106336717
N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide
CID 106336906
4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide
CID 110354804
3-amino-N-(5-hydroxypentyl)-3-methylbutanamide
CID 107317591
3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide
CID 107842436
3-amino-3-methyl-N-(7-methyloctyl)butanamide
CID 64677184
3-amino-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 64679060
4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 106334761

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide (CID 106336943) is 3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide is CNS(=O)(=O)CCNC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide?
The InChIKey is XZPOTDSSDVQZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-8(2,9)6-7(12)11-4-5-15(13,14)10-3/h10H,4-6,9H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide?
3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide has a molecular weight of 237.32 g/mol, XLogP of -1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide is sourced from PubChem (CID 106336943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).