2-sulfamoylbutanoic acid

C4H9NO4S — CID 21241990

IUPAC2-sulfamoylbutanoic acid
SMILESCCC(C(=O)O)S(N)(=O)=O
InChIInChI=1S/C4H9NO4S/c1-2-3(4(6)7)10(5,8)9/h3H,2H2,1H3,(H,6,7)(H2,5,8,9)
InChIKeyOXBVBLJPZZHABL-UHFFFAOYSA-N
MW167.19 g/mol
LogP-0.86
Rot. Bonds3

About 2-sulfamoylbutanoic acid

2-sulfamoylbutanoic acid (PubChem CID 21241990) has the molecular formula C4H9NO4S and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-sulfamoylbutanoic acid.

Molecular Properties

Compound Name2-sulfamoylbutanoic acid
PubChem CID21241990
Molecular FormulaC4H9NO4S
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Name2-sulfamoylbutanoic acid
SMILESCCC(C(=O)O)S(N)(=O)=O
InChIInChI=1S/C4H9NO4S/c1-2-3(4(6)7)10(5,8)9/h3H,2H2,1H3,(H,6,7)(H2,5,8,9)
InChIKeyOXBVBLJPZZHABL-UHFFFAOYSA-N
XLogP-0.86
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chlorosulfonylbutanoic acid
CID 21454133
2-methylsulfonylbutanoic acid
CID 18360997
2-(2-cyanoethylsulfonyl)butanoic acid
CID 82531717
2-[2-(carbamoylamino)-2-oxoethyl]sulfonylbutanoic acid
CID 105354486
(2R)-2-(benzenesulfonyl)butanoic acid
CID 92981674
3-phenyl-2-sulfamoylpropanoic acid
CID 70062822
2-(cyclopropylmethylsulfonyl)butanoic acid
CID 104539595
2-(2-methoxyethylsulfonyl)butanoic acid
CID 43808940
4-amino-2-ethylsulfonylbutanoic acid
CID 64694447
2-(1-amino-1-oxobutan-2-yl)sulfonylacetic acid
CID 62899487
2-oxo-3-sulfopentanoic acid
CID 151903506
2-(phenylsulfonimidoyl)butanoic acid
CID 86629473

Frequently Asked Questions

What is the IUPAC name of 2-sulfamoylbutanoic acid?
The IUPAC name of 2-sulfamoylbutanoic acid (CID 21241990) is 2-sulfamoylbutanoic acid.
What is the SMILES notation for 2-sulfamoylbutanoic acid?
The canonical SMILES for 2-sulfamoylbutanoic acid is CCC(C(=O)O)S(N)(=O)=O.
What is the InChIKey of 2-sulfamoylbutanoic acid?
The InChIKey is OXBVBLJPZZHABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S/c1-2-3(4(6)7)10(5,8)9/h3H,2H2,1H3,(H,6,7)(H2,5,8,9).
What are the key properties of 2-sulfamoylbutanoic acid?
2-sulfamoylbutanoic acid has a molecular weight of 167.19 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfamoylbutanoic acid is sourced from PubChem (CID 21241990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).