3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine

C8H14NOS- — CID 88681093

IUPAC3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine
SMILESC=CCSC1C(CC)CN1[O-]
InChIInChI=1S/C8H14NOS/c1-3-5-11-8-7(4-2)6-9(8)10/h3,7-8H,1,4-6H2,2H3/q-1
InChIKeyLMXGAORUKTWDCS-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.07
Rot. Bonds4

About 3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine

3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine (PubChem CID 88681093) has the molecular formula C8H14NOS- and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine.

Molecular Properties

Compound Name3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine
PubChem CID88681093
Molecular FormulaC8H14NOS-
Molecular Weight172.27 g/mol
Exact Mass172.08
IUPAC Name3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine
SMILESC=CCSC1C(CC)CN1[O-]
InChIInChI=1S/C8H14NOS/c1-3-5-11-8-7(4-2)6-9(8)10/h3,7-8H,1,4-6H2,2H3/q-1
InChIKeyLMXGAORUKTWDCS-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-diethyl-1,4-dithiane;3-(prop-2-enyldisulfanyl)prop-1-ene
CID 158435421
(3R,4S)-3-ethyl-4-prop-2-enylsulfanylazetidin-2-one
CID 131227250
2-ethyl-1-azabicyclo[1.1.0]butane
CID 147893042
methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate
CID 143902900
but-1-ene;dihydrofluoride
CID 175726295
but-1-ene;ethene
CID 19017343
8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 86094387
2-[(3S,4S)-1-(2-chloropyridine-4-carbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide
CID 162812191
1,4-bis(ethenyl)-2-ethylcyclohexane
CID 142317561
3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine
CID 90382204
3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
CID 131107230
1-[(3R,4S)-3-(aminomethyl)-4-prop-2-enylpyrrolidin-1-yl]ethanone
CID 161162625

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine?
The IUPAC name of 3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine (CID 88681093) is 3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine.
What is the SMILES notation for 3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine?
The canonical SMILES for 3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine is C=CCSC1C(CC)CN1[O-].
What is the InChIKey of 3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine?
The InChIKey is LMXGAORUKTWDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NOS/c1-3-5-11-8-7(4-2)6-9(8)10/h3,7-8H,1,4-6H2,2H3/q-1.
What are the key properties of 3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine?
3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine has a molecular weight of 172.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-oxido-2-prop-2-enylsulfanylazetidine is sourced from PubChem (CID 88681093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).