4-[methyl(propan-2-yl)sulfamoyl]butanoic acid

C8H17NO4S — CID 28773535

IUPAC4-[methyl(propan-2-yl)sulfamoyl]butanoic acid
SMILESCC(C)N(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-7(2)9(3)14(12,13)6-4-5-8(10)11/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyWKBXSBNFJFQXMC-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.52
Rot. Bonds6

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

4-[methyl(propan-2-yl)sulfamoyl]butanoic acid (PubChem CID 28773535) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)sulfamoyl]butanoic acid
PubChem CID28773535
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name4-[methyl(propan-2-yl)sulfamoyl]butanoic acid
SMILESCC(C)N(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-7(2)9(3)14(12,13)6-4-5-8(10)11/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyWKBXSBNFJFQXMC-UHFFFAOYSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]butanoic acid (CID 28773535) is 4-[methyl(propan-2-yl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[methyl(propan-2-yl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[methyl(propan-2-yl)sulfamoyl]butanoic acid is CC(C)N(C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[methyl(propan-2-yl)sulfamoyl]butanoic acid?
The InChIKey is WKBXSBNFJFQXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-7(2)9(3)14(12,13)6-4-5-8(10)11/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-[methyl(propan-2-yl)sulfamoyl]butanoic acid?
4-[methyl(propan-2-yl)sulfamoyl]butanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)sulfamoyl]butanoic acid is sourced from PubChem (CID 28773535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).