4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid

C10H22N2O4S — CID 80540305

IUPAC4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid
SMILESCCCCN(C)S(=O)(=O)NCCC(C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-4-5-8-12(3)17(15,16)11-7-6-9(2)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyXSCUGDYVMZSWHD-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.66
Rot. Bonds9

About 4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid

4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid (PubChem CID 80540305) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid
PubChem CID80540305
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid
SMILESCCCCN(C)S(=O)(=O)NCCC(C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-4-5-8-12(3)17(15,16)11-7-6-9(2)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyXSCUGDYVMZSWHD-UHFFFAOYSA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid (CID 80540305) is 4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid is CCCCN(C)S(=O)(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid?
The InChIKey is XSCUGDYVMZSWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-4-5-8-12(3)17(15,16)11-7-6-9(2)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid?
4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 80540305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).