4-[[butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid

C11H24N2O4S — CID 62043974

IUPAC4-[[butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H24N2O4S/c1-5-6-9-13(4)18(16,17)12-11(2,3)8-7-10(14)15/h12H,5-9H2,1-4H3,(H,14,15)
InChIKeyYFAFAPBSHXDCGD-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.20
Rot. Bonds9

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

4-[[butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid (PubChem CID 62043974) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-[[butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid
PubChem CID62043974
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name4-[[butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H24N2O4S/c1-5-6-9-13(4)18(16,17)12-11(2,3)8-7-10(14)15/h12H,5-9H2,1-4H3,(H,14,15)
InChIKeyYFAFAPBSHXDCGD-UHFFFAOYSA-N
XLogP1.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.20
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]-4-methylpentanoic acid?
The IUPAC name of 4-[[butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid (CID 62043974) is 4-[[butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid is CCCCN(C)S(=O)(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[[butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid?
The InChIKey is YFAFAPBSHXDCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-5-6-9-13(4)18(16,17)12-11(2,3)8-7-10(14)15/h12H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 4-[[butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid?
4-[[butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid has a molecular weight of 280.39 g/mol, XLogP of 1.20, 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]-4-methylpentanoic acid is sourced from PubChem (CID 62043974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).