4-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid

C10H22N2O4S — CID 81066030

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

About 4-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid

4-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid (PubChem CID 81066030) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
PubChem CID81066030
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name4-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
SMILESCCCCN(C)S(=O)(=O)NCC(C)CC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-4-5-6-12(3)17(15,16)11-8-9(2)7-10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyMZUPSZQPTUXLAJ-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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Related Compounds

3-Methyl-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 81065565
Di(2-acetoxy-n-propyl)amine
CID 57979
4-Amino-2-methylbutanoic acid;2-methyl-3-(methylamino)propanoic acid
CID 88371409
4-(3-Carboxybutylamino)-2-methylbutanoic acid
CID 137491777
Ethane;2-methyl-4-(methylamino)butanoic acid
CID 141944061
(2S)-4-(4-aminobutylamino)-2-methylbutanoic acid
CID 142492726
CID 158730439
CID 158730439
2-Amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid
CID 174658777
4-(Dimethylsulfamoylamino)butanoic acid
CID 24263003
4-(Pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 28783603
4-[(4-Methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 28783609
4-(Diethylsulfamoylamino)butanoic acid
CID 28783619

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 4-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid (CID 81066030) is 4-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid is CCCCN(C)S(=O)(=O)NCC(C)CC(=O)O.
What is the InChIKey of 4-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid?
The InChIKey is MZUPSZQPTUXLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-4-5-6-12(3)17(15,16)11-8-9(2)7-10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid?
4-[[butyl(methyl)sulfamoyl]amino]-3-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]-3-methylbutanoic acid is sourced from PubChem (CID 81066030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).