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

C10H22N2O4S — CID 79793305

IUPAC2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-5-7-8-12(4)17(15,16)11-10(3,6-2)9(13)14/h11H,5-8H2,1-4H3,(H,13,14)
InChIKeyDVNFVQVXMBBKIS-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.81
Rot. Bonds8

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

2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid (PubChem CID 79793305) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid
PubChem CID79793305
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-5-7-8-12(4)17(15,16)11-10(3,6-2)9(13)14/h11H,5-8H2,1-4H3,(H,13,14)
InChIKeyDVNFVQVXMBBKIS-UHFFFAOYSA-N
XLogP0.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid (CID 79793305) is 2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid is CCCCN(C)S(=O)(=O)NC(C)(CC)C(=O)O.
What is the InChIKey of 2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid?
The InChIKey is DVNFVQVXMBBKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-7-8-12(4)17(15,16)11-10(3,6-2)9(13)14/h11H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid?
2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79793305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).