3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane

C19H33FN2O5S — CID 170739207

IUPAC3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane
SMILESC=CC1=C(C=C)S(=O)(=O)N(C2CCC(=O)NC2=O)C1=O.CC.CC.CC.CF
InChIInChI=1S/C12H12N2O5S.3C2H6.CH3F/c1-3-7-9(4-2)20(18,19)14(12(7)17)8-5-6-10(15)13-11(8)16;4*1-2/h3-4,8H,1-2,5-6H2,(H,13,15,16);3*1-2H3;1H3
InChIKeyLDSNMCMSFDGTAA-UHFFFAOYSA-N
MW420.55 g/mol
LogP3.25
Rot. Bonds3

About 3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane

3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane (PubChem CID 170739207) has the molecular formula C19H33FN2O5S and a molecular weight of 420.55 g/mol. Its IUPAC name is 3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane.

Molecular Properties

Compound Name3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane
PubChem CID170739207
Molecular FormulaC19H33FN2O5S
Molecular Weight420.55 g/mol
Exact Mass420.21
IUPAC Name3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane
SMILESC=CC1=C(C=C)S(=O)(=O)N(C2CCC(=O)NC2=O)C1=O.CC.CC.CC.CF
InChIInChI=1S/C12H12N2O5S.3C2H6.CH3F/c1-3-7-9(4-2)20(18,19)14(12(7)17)8-5-6-10(15)13-11(8)16;4*1-2/h3-4,8H,1-2,5-6H2,(H,13,15,16);3*1-2H3;1H3
InChIKeyLDSNMCMSFDGTAA-UHFFFAOYSA-N
XLogP3.25
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione
CID 176988345
ethane;3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane
CID 177212208
3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 177212209
ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
CID 177339089
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
3-(5-ethenyl-4-ethyl-2,3-dihydropyrrol-1-yl)piperidine-2,6-dione
CID 176988089
3-(3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 123483431
3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 170609618
(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
CID 130441981
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
(3R)-3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 124564806
3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
CID 155583148

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane?
The IUPAC name of 3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane (CID 170739207) is 3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane.
What is the SMILES notation for 3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane?
The canonical SMILES for 3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane is C=CC1=C(C=C)S(=O)(=O)N(C2CCC(=O)NC2=O)C1=O.CC.CC.CC.CF.
What is the InChIKey of 3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane?
The InChIKey is LDSNMCMSFDGTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S.3C2H6.CH3F/c1-3-7-9(4-2)20(18,19)14(12(7)17)8-5-6-10(15)13-11(8)16;4*1-2/h3-4,8H,1-2,5-6H2,(H,13,15,16);3*1-2H3;1H3.
What are the key properties of 3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane?
3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane has a molecular weight of 420.55 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane is sourced from PubChem (CID 170739207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).