3-(3-methylbutylsulfamoyl)propanoic acid

C8H17NO4S — CID 28514222

IUPAC3-(3-methylbutylsulfamoyl)propanoic acid
SMILESCC(C)CCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-7(2)3-5-9-14(12,13)6-4-8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyLIMDVQDLRWMCSN-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.43
Rot. Bonds7

About 3-(3-methylbutylsulfamoyl)propanoic acid

3-(3-methylbutylsulfamoyl)propanoic acid (PubChem CID 28514222) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(3-methylbutylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(3-methylbutylsulfamoyl)propanoic acid
PubChem CID28514222
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name3-(3-methylbutylsulfamoyl)propanoic acid
SMILESCC(C)CCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-7(2)3-5-9-14(12,13)6-4-8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyLIMDVQDLRWMCSN-UHFFFAOYSA-N
XLogP0.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylsulfamoyl)propanoic acid?
The IUPAC name of 3-(3-methylbutylsulfamoyl)propanoic acid (CID 28514222) is 3-(3-methylbutylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(3-methylbutylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(3-methylbutylsulfamoyl)propanoic acid is CC(C)CCNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(3-methylbutylsulfamoyl)propanoic acid?
The InChIKey is LIMDVQDLRWMCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-7(2)3-5-9-14(12,13)6-4-8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 3-(3-methylbutylsulfamoyl)propanoic acid?
3-(3-methylbutylsulfamoyl)propanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylsulfamoyl)propanoic acid is sourced from PubChem (CID 28514222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).