2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one

C14H15NO2S — CID 15214537

IUPAC2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one
SMILESC=CC1(C)CC12C(=O)N(C)c1ccccc1S2=O
InChIInChI=1S/C14H15NO2S/c1-4-13(2)9-14(13)12(16)15(3)10-7-5-6-8-11(10)18(14)17/h4-8H,1,9H2,2-3H3
InChIKeyTVBDZNSHXUMEFR-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.11
Rot. Bonds1

About 2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one

2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one (PubChem CID 15214537) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one
PubChem CID15214537
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one
SMILESC=CC1(C)CC12C(=O)N(C)c1ccccc1S2=O
InChIInChI=1S/C14H15NO2S/c1-4-13(2)9-14(13)12(16)15(3)10-7-5-6-8-11(10)18(14)17/h4-8H,1,9H2,2-3H3
InChIKeyTVBDZNSHXUMEFR-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,2'S)-2'-ethenyl-2',4-dimethyl-1-oxospiro[1λ4,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 10801393
(1S,2aR)-1,2a,4-trimethyl-3-oxo-2H-azeto[1,2-a]quinoxaline-1-carbonitrile
CID 124861072
3'-ethenyl-3',4-dimethylspiro[1,4-benzothiazine-2,5'-dioxolane]-3-one
CID 10683938
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
CID 102235966
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
3-(1,3-dimethyl-2-oxoindol-3-yl)-2-methylpropanenitrile
CID 162413977
1,3,3,4-tetramethylquinoxalin-2-one
CID 121015533
1,3,3-trimethyl-4H-quinolin-2-one
CID 15056385
(1R,10S,11R)-8,10,11-trimethyl-13-oxo-11-prop-1-en-2-yl-13lambda4-thia-8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-9-one
CID 10614410
(3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one
CID 139037177

Frequently Asked Questions

What is the IUPAC name of 2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one?
The IUPAC name of 2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one (CID 15214537) is 2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one.
What is the SMILES notation for 2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one?
The canonical SMILES for 2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one is C=CC1(C)CC12C(=O)N(C)c1ccccc1S2=O.
What is the InChIKey of 2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one?
The InChIKey is TVBDZNSHXUMEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-4-13(2)9-14(13)12(16)15(3)10-7-5-6-8-11(10)18(14)17/h4-8H,1,9H2,2-3H3.
What are the key properties of 2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one?
2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one has a molecular weight of 261.35 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 15214537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).