(E)-2-(aziridin-1-yl)ethenesulfonyl fluoride

C4H6FNO2S — CID 169225813

IUPAC(E)-2-(aziridin-1-yl)ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/N1CC1
InChIInChI=1S/C4H6FNO2S/c5-9(7,8)4-3-6-1-2-6/h3-4H,1-2H2/b4-3+
InChIKeyQAHFREATKHPDMS-ONEGZZNKSA-N
MW151.16 g/mol
LogP0.07
Rot. Bonds2

About (E)-2-(aziridin-1-yl)ethenesulfonyl fluoride

(E)-2-(aziridin-1-yl)ethenesulfonyl fluoride (PubChem CID 169225813) has the molecular formula C4H6FNO2S and a molecular weight of 151.16 g/mol. Its IUPAC name is (E)-2-(aziridin-1-yl)ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-(aziridin-1-yl)ethenesulfonyl fluoride
PubChem CID169225813
Molecular FormulaC4H6FNO2S
Molecular Weight151.16 g/mol
Exact Mass151.01
IUPAC Name(E)-2-(aziridin-1-yl)ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/N1CC1
InChIInChI=1S/C4H6FNO2S/c5-9(7,8)4-3-6-1-2-6/h3-4H,1-2H2/b4-3+
InChIKeyQAHFREATKHPDMS-ONEGZZNKSA-N
XLogP0.07
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(aziridin-1-yl)ethenesulfonyl fluoride?
The IUPAC name of (E)-2-(aziridin-1-yl)ethenesulfonyl fluoride (CID 169225813) is (E)-2-(aziridin-1-yl)ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-(aziridin-1-yl)ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-(aziridin-1-yl)ethenesulfonyl fluoride is O=S(=O)(F)/C=C/N1CC1.
What is the InChIKey of (E)-2-(aziridin-1-yl)ethenesulfonyl fluoride?
The InChIKey is QAHFREATKHPDMS-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H6FNO2S/c5-9(7,8)4-3-6-1-2-6/h3-4H,1-2H2/b4-3+.
What are the key properties of (E)-2-(aziridin-1-yl)ethenesulfonyl fluoride?
(E)-2-(aziridin-1-yl)ethenesulfonyl fluoride has a molecular weight of 151.16 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(aziridin-1-yl)ethenesulfonyl fluoride is sourced from PubChem (CID 169225813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).