4-sulfamoylpentanoic acid

C5H11NO4S — CID 174502246

IUPAC4-sulfamoylpentanoic acid
SMILESCC(CCC(=O)O)S(N)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-4(11(6,9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H2,6,9,10)
InChIKeyHTYQHNQMVONHNZ-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.47
Rot. Bonds4

About 4-sulfamoylpentanoic acid

4-sulfamoylpentanoic acid (PubChem CID 174502246) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-sulfamoylpentanoic acid.

Molecular Properties

Compound Name4-sulfamoylpentanoic acid
PubChem CID174502246
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name4-sulfamoylpentanoic acid
SMILESCC(CCC(=O)O)S(N)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-4(11(6,9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H2,6,9,10)
InChIKeyHTYQHNQMVONHNZ-UHFFFAOYSA-N
XLogP-0.47
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-sulfamoylbutanoic Acid
CID 2773320
5-Sulfopentanoic acid
CID 15986686
2-Sulfamoylpentanoic acid
CID 21241989
7-Sulfamoylheptanoic acid
CID 56994493
6-Sulfamoylhexanoic acid
CID 57225123
Sulfovaleric acid
CID 21639765
5-Chlorosulfonylpentanoic acid
CID 20448509
1-Hydroxy-1-oxopentane-3-sulfonate
CID 20727818
3-Sulfopentanoic acid
CID 20727819
2-Sulfamoylbutanoic acid
CID 21241990
5-[(Methylsulfonyl)thio]pentanoic acid
CID 22610858
2-Sulfopentanoic acid
CID 23461309

Frequently Asked Questions

What is the IUPAC name of 4-sulfamoylpentanoic acid?
The IUPAC name of 4-sulfamoylpentanoic acid (CID 174502246) is 4-sulfamoylpentanoic acid.
What is the SMILES notation for 4-sulfamoylpentanoic acid?
The canonical SMILES for 4-sulfamoylpentanoic acid is CC(CCC(=O)O)S(N)(=O)=O.
What is the InChIKey of 4-sulfamoylpentanoic acid?
The InChIKey is HTYQHNQMVONHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-4(11(6,9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H2,6,9,10).
What are the key properties of 4-sulfamoylpentanoic acid?
4-sulfamoylpentanoic acid has a molecular weight of 181.21 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoylpentanoic acid is sourced from PubChem (CID 174502246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).