butanoylsulfamic acid

C4H9NO4S — CID 18510281

IUPACbutanoylsulfamic acid
SMILESCCCC(=O)NS(=O)(=O)O
InChIInChI=1S/C4H9NO4S/c1-2-3-4(6)5-10(7,8)9/h2-3H2,1H3,(H,5,6)(H,7,8,9)
InChIKeyFEEXTBSXIJMBTO-UHFFFAOYSA-N
MW167.19 g/mol
LogP-0.29
Rot. Bonds3

About butanoylsulfamic acid

butanoylsulfamic acid (PubChem CID 18510281) has the molecular formula C4H9NO4S and a molecular weight of 167.19 g/mol. Its IUPAC name is butanoylsulfamic acid.

Molecular Properties

Compound Namebutanoylsulfamic acid
PubChem CID18510281
Molecular FormulaC4H9NO4S
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Namebutanoylsulfamic acid
SMILESCCCC(=O)NS(=O)(=O)O
InChIInChI=1S/C4H9NO4S/c1-2-3-4(6)5-10(7,8)9/h2-3H2,1H3,(H,5,6)(H,7,8,9)
InChIKeyFEEXTBSXIJMBTO-UHFFFAOYSA-N
XLogP-0.29
TPSA83.47 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 ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butanoylsulfamic acid?
The IUPAC name of butanoylsulfamic acid (CID 18510281) is butanoylsulfamic acid.
What is the SMILES notation for butanoylsulfamic acid?
The canonical SMILES for butanoylsulfamic acid is CCCC(=O)NS(=O)(=O)O.
What is the InChIKey of butanoylsulfamic acid?
The InChIKey is FEEXTBSXIJMBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S/c1-2-3-4(6)5-10(7,8)9/h2-3H2,1H3,(H,5,6)(H,7,8,9).
What are the key properties of butanoylsulfamic acid?
butanoylsulfamic acid has a molecular weight of 167.19 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanoylsulfamic acid is sourced from PubChem (CID 18510281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).