4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid

C9H19NO4S — CID 43271866

IUPAC4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid
SMILESCC(C)CN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H19NO4S/c1-8(2)7-10(3)15(13,14)6-4-5-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyYQFLXCLOZKIYFD-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.77
Rot. Bonds7

About 4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid

4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid (PubChem CID 43271866) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid
PubChem CID43271866
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid
SMILESCC(C)CN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H19NO4S/c1-8(2)7-10(3)15(13,14)6-4-5-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyYQFLXCLOZKIYFD-UHFFFAOYSA-N
XLogP0.77
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
4-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876266
2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947862
3-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55028962
4-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60952152
4-[Methyl(3,3,3-trifluoropropyl)sulfamoyl]butanoic acid
CID 65535016
2-Methyl-3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoic acid
CID 83068691
3-[3-Fluoropropylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 120397697
3-[4-Fluorobutylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 121617586
3-((dimethylamino)sulfonyl]-2(R)-methylpropionic acid
CID 18738436
3-(Dimethylsulfamoyl)-2,3-dimethylbutanoic acid
CID 18738475
3-(Dimethylsulfamoyl)-2-methylpropanoic acid
CID 21985269

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid (CID 43271866) is 4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid is CC(C)CN(C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid?
The InChIKey is YQFLXCLOZKIYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-8(2)7-10(3)15(13,14)6-4-5-9(11)12/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid?
4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid has a molecular weight of 237.32 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylpropyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43271866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).