N-(1,1-dioxothiolan-3-yl)ethanimine

C6H11NO2S — CID 18801465

IUPACN-(1,1-dioxothiolan-3-yl)ethanimine
SMILESC/C=N/C1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO2S/c1-2-7-6-3-4-10(8,9)5-6/h2,6H,3-5H2,1H3/b7-2+
InChIKeyIFRVUPZRIHCGFU-FARCUNLSSA-N
MW161.23 g/mol
LogP0.26
Rot. Bonds1

About N-(1,1-dioxothiolan-3-yl)ethanimine

N-(1,1-dioxothiolan-3-yl)ethanimine (PubChem CID 18801465) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)ethanimine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)ethanimine
PubChem CID18801465
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)ethanimine
SMILESC/C=N/C1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO2S/c1-2-7-6-3-4-10(8,9)5-6/h2,6H,3-5H2,1H3/b7-2+
InChIKeyIFRVUPZRIHCGFU-FARCUNLSSA-N
XLogP0.26
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)ethanimine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)ethanimine (CID 18801465) is N-(1,1-dioxothiolan-3-yl)ethanimine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)ethanimine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)ethanimine is C/C=N/C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)ethanimine?
The InChIKey is IFRVUPZRIHCGFU-FARCUNLSSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-2-7-6-3-4-10(8,9)5-6/h2,6H,3-5H2,1H3/b7-2+.
What are the key properties of N-(1,1-dioxothiolan-3-yl)ethanimine?
N-(1,1-dioxothiolan-3-yl)ethanimine has a molecular weight of 161.23 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)ethanimine is sourced from PubChem (CID 18801465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).