4-(sulfamoylamino)butanoic acid

C4H10N2O4S — CID 24693646

IUPAC4-(sulfamoylamino)butanoic acid
SMILESNS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C4H10N2O4S/c5-11(9,10)6-3-1-2-4(7)8/h6H,1-3H2,(H,7,8)(H2,5,9,10)
InChIKeyPIRBTSXPGPBZNU-UHFFFAOYSA-N
MW182.20 g/mol
LogP-1.36
Rot. Bonds5

About 4-(sulfamoylamino)butanoic acid

4-(sulfamoylamino)butanoic acid (PubChem CID 24693646) has the molecular formula C4H10N2O4S and a molecular weight of 182.20 g/mol. Its IUPAC name is 4-(sulfamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(sulfamoylamino)butanoic acid
PubChem CID24693646
Molecular FormulaC4H10N2O4S
Molecular Weight182.20 g/mol
Exact Mass182.04
IUPAC Name4-(sulfamoylamino)butanoic acid
SMILESNS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C4H10N2O4S/c5-11(9,10)6-3-1-2-4(7)8/h6H,1-3H2,(H,7,8)(H2,5,9,10)
InChIKeyPIRBTSXPGPBZNU-UHFFFAOYSA-N
XLogP-1.36
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(sulfamoylamino)butanoic acid?
The IUPAC name of 4-(sulfamoylamino)butanoic acid (CID 24693646) is 4-(sulfamoylamino)butanoic acid.
What is the SMILES notation for 4-(sulfamoylamino)butanoic acid?
The canonical SMILES for 4-(sulfamoylamino)butanoic acid is NS(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-(sulfamoylamino)butanoic acid?
The InChIKey is PIRBTSXPGPBZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O4S/c5-11(9,10)6-3-1-2-4(7)8/h6H,1-3H2,(H,7,8)(H2,5,9,10).
What are the key properties of 4-(sulfamoylamino)butanoic acid?
4-(sulfamoylamino)butanoic acid has a molecular weight of 182.20 g/mol, XLogP of -1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfamoylamino)butanoic acid is sourced from PubChem (CID 24693646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).