azetidine-1-sulfonic acid;prop-2-enamide

C6H12N2O4S — CID 175525765

IUPACazetidine-1-sulfonic acid;prop-2-enamide
SMILESC=CC(N)=O.O=S(=O)(O)N1CCC1
InChIInChI=1S/C3H7NO3S.C3H5NO/c5-8(6,7)4-2-1-3-4;1-2-3(4)5/h1-3H2,(H,5,6,7);2H,1H2,(H2,4,5)
InChIKeyWAZGNAHUUKSTQL-UHFFFAOYSA-N
MW208.24 g/mol
LogP-0.85
Rot. Bonds2

About azetidine-1-sulfonic acid;prop-2-enamide

azetidine-1-sulfonic acid;prop-2-enamide (PubChem CID 175525765) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is azetidine-1-sulfonic acid;prop-2-enamide.

Molecular Properties

Compound Nameazetidine-1-sulfonic acid;prop-2-enamide
PubChem CID175525765
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Nameazetidine-1-sulfonic acid;prop-2-enamide
SMILESC=CC(N)=O.O=S(=O)(O)N1CCC1
InChIInChI=1S/C3H7NO3S.C3H5NO/c5-8(6,7)4-2-1-3-4;1-2-3(4)5/h1-3H2,(H,5,6,7);2H,1H2,(H2,4,5)
InChIKeyWAZGNAHUUKSTQL-UHFFFAOYSA-N
XLogP-0.85
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azetidine-1-sulfonic acid;prop-2-enamide?
The IUPAC name of azetidine-1-sulfonic acid;prop-2-enamide (CID 175525765) is azetidine-1-sulfonic acid;prop-2-enamide.
What is the SMILES notation for azetidine-1-sulfonic acid;prop-2-enamide?
The canonical SMILES for azetidine-1-sulfonic acid;prop-2-enamide is C=CC(N)=O.O=S(=O)(O)N1CCC1.
What is the InChIKey of azetidine-1-sulfonic acid;prop-2-enamide?
The InChIKey is WAZGNAHUUKSTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S.C3H5NO/c5-8(6,7)4-2-1-3-4;1-2-3(4)5/h1-3H2,(H,5,6,7);2H,1H2,(H2,4,5).
What are the key properties of azetidine-1-sulfonic acid;prop-2-enamide?
azetidine-1-sulfonic acid;prop-2-enamide has a molecular weight of 208.24 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-1-sulfonic acid;prop-2-enamide is sourced from PubChem (CID 175525765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).