4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine]

C19H19NO2S — CID 15544069

IUPAC4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine]
SMILESC=C1c2ccccc2CCC12CN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO2S/c1-14-7-9-17(10-8-14)23(21,22)20-13-19(20)12-11-16-5-3-4-6-18(16)15(19)2/h3-10H,2,11-13H2,1H3
InChIKeyXCIHJWJWYXCGFX-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.40
Rot. Bonds2

About 4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine]

4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine] (PubChem CID 15544069) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine].

Molecular Properties

Compound Name4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine]
PubChem CID15544069
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine]
SMILESC=C1c2ccccc2CCC12CN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO2S/c1-14-7-9-17(10-8-14)23(21,22)20-13-19(20)12-11-16-5-3-4-6-18(16)15(19)2/h3-10H,2,11-13H2,1H3
InChIKeyXCIHJWJWYXCGFX-UHFFFAOYSA-N
XLogP3.40
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 134927022
(1E)-1-benzylidene-3-(4-methylphenyl)sulfonyl-2,4,5,6-tetrahydro-3-benzazocine
CID 10787364
3,5-dimethyl-6-(4-methylphenyl)sulfonyl-1-phenyl-6-azabicyclo[3.2.1]oct-3-ene
CID 101441669
(5S)-4-methylidene-7-(4-methylphenyl)sulfonyl-7-azaspiro[4.6]undecane
CID 102431755
2,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine
CID 164678390
1,6-dimethyl-7-(4-methylphenyl)sulfonyl-7-azabicyclo[4.2.0]octane
CID 90482026
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
1-[2-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethanone
CID 134896821
2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine
CID 82251742
(3S,5S)-1-(4-methylphenyl)sulfonyl-7-oxo-1,6-diazaspiro[2.4]heptane-5,6-dicarboxylic acid
CID 91087239
(3Z)-3-[4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]-4-methylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 154722820

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine]?
The IUPAC name of 4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine] (CID 15544069) is 4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine].
What is the SMILES notation for 4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine]?
The canonical SMILES for 4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine] is C=C1c2ccccc2CCC12CN2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine]?
The InChIKey is XCIHJWJWYXCGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-14-7-9-17(10-8-14)23(21,22)20-13-19(20)12-11-16-5-3-4-6-18(16)15(19)2/h3-10H,2,11-13H2,1H3.
What are the key properties of 4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine]?
4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine] has a molecular weight of 325.43 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine] is sourced from PubChem (CID 15544069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).