N-[(3S)-1,1-dioxothiolan-3-yl]ethanimine

C6H11NO2S — CID 92852112

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]ethanimine
SMILESC/C=N/[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO2S/c1-2-7-6-3-4-10(8,9)5-6/h2,6H,3-5H2,1H3/b7-2+/t6-/m0/s1
InChIKeyIFRVUPZRIHCGFU-OPRXANKNSA-N
MW161.23 g/mol
LogP0.26
Rot. Bonds1

About N-[(3S)-1,1-dioxothiolan-3-yl]ethanimine

N-[(3S)-1,1-dioxothiolan-3-yl]ethanimine (PubChem CID 92852112) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]ethanimine
PubChem CID92852112
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]ethanimine
SMILESC/C=N/[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO2S/c1-2-7-6-3-4-10(8,9)5-6/h2,6H,3-5H2,1H3/b7-2+/t6-/m0/s1
InChIKeyIFRVUPZRIHCGFU-OPRXANKNSA-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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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-1-(5-methylfuran-2-yl)methanimine
CID 27309079
2-[(1,1-dioxothiolan-3-yl)iminomethyl]phenol
CID 5150731
2-[[(3R)-1,1-dioxothiolan-3-yl]iminomethyl]phenol
CID 2407869
2-[[(3S)-1,1-dioxothiolan-3-yl]iminomethyl]-4-methoxyphenol
CID 135787711
4-chloro-2-[[(3S)-1,1-dioxothiolan-3-yl]iminomethyl]phenol
CID 135787709
(3R,4R)-3,4-dimethylthiane 1,1-dioxide
CID 58714657
3-but-2-en-2-yloxythiolane 1,1-dioxide
CID 70631356
4-[[(3R)-1,1-dioxothiolan-3-yl]iminomethyl]-2-(2-ethylphenyl)-3-hydroxyisoquinolin-1-one
CID 136700653
1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine
CID 34306091
N-[(3R)-1,1-dioxothiolan-3-yl]-1-[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 1388078
cis-[4-[[(3R)-1,1-dioxothiolan-3-yl]iminomethyl]phenyl] (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 27340006
(3R)-3-methylsulfanylthiolane 1,1-dioxide
CID 51415830

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]ethanimine?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]ethanimine (CID 92852112) is N-[(3S)-1,1-dioxothiolan-3-yl]ethanimine.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]ethanimine?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]ethanimine is C/C=N/[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]ethanimine?
The InChIKey is IFRVUPZRIHCGFU-OPRXANKNSA-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+/t6-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]ethanimine?
N-[(3S)-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-[(3S)-1,1-dioxothiolan-3-yl]ethanimine is sourced from PubChem (CID 92852112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).