4-(3-hydroxybutylsulfamoyl)butanoic acid

C8H17NO5S — CID 64928300

IUPAC4-(3-hydroxybutylsulfamoyl)butanoic acid
SMILESCC(O)CCNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H17NO5S/c1-7(10)4-5-9-15(13,14)6-2-3-8(11)12/h7,9-10H,2-6H2,1H3,(H,11,12)
InChIKeyOHWHUUHRBVSDLR-UHFFFAOYSA-N
MW239.29 g/mol
LogP-0.46
Rot. Bonds8

About 4-(3-hydroxybutylsulfamoyl)butanoic acid

4-(3-hydroxybutylsulfamoyl)butanoic acid (PubChem CID 64928300) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-(3-hydroxybutylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(3-hydroxybutylsulfamoyl)butanoic acid
PubChem CID64928300
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Name4-(3-hydroxybutylsulfamoyl)butanoic acid
SMILESCC(O)CCNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H17NO5S/c1-7(10)4-5-9-15(13,14)6-2-3-8(11)12/h7,9-10H,2-6H2,1H3,(H,11,12)
InChIKeyOHWHUUHRBVSDLR-UHFFFAOYSA-N
XLogP-0.46
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
CID 55097859
N-(3-hydroxybutyl)-2-methylsulfonylethanesulfonamide
CID 64911861
methyl 3-(3-hydroxybutylsulfamoyl)propanoate
CID 64912074
4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid
CID 64541919
4-(3-methylsulfanylpropylsulfamoyl)butanoic acid
CID 63965509
4-(3-methoxypropylsulfamoyl)butanoic acid
CID 28513471
2-(4-hydroxypentylsulfamoyl)acetic acid
CID 106120521
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066
hexanedioic acid;hexane-2,5-diol
CID 160536258
7-(butylsulfonylamino)heptanoic acid
CID 24704780
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybutylsulfamoyl)butanoic acid?
The IUPAC name of 4-(3-hydroxybutylsulfamoyl)butanoic acid (CID 64928300) is 4-(3-hydroxybutylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(3-hydroxybutylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(3-hydroxybutylsulfamoyl)butanoic acid is CC(O)CCNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-(3-hydroxybutylsulfamoyl)butanoic acid?
The InChIKey is OHWHUUHRBVSDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-7(10)4-5-9-15(13,14)6-2-3-8(11)12/h7,9-10H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-(3-hydroxybutylsulfamoyl)butanoic acid?
4-(3-hydroxybutylsulfamoyl)butanoic acid has a molecular weight of 239.29 g/mol, XLogP of -0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybutylsulfamoyl)butanoic acid is sourced from PubChem (CID 64928300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).