trimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane

C18H27NO2SSi — CID 102078814

IUPACtrimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane
SMILESCc1ccc(S(=O)(=O)N2CCC3CC3(/C=C\[Si](C)(C)C)C2)cc1
InChIInChI=1S/C18H27NO2SSi/c1-15-5-7-17(8-6-15)22(20,21)19-11-9-16-13-18(16,14-19)10-12-23(2,3)4/h5-8,10,12,16H,9,11,13-14H2,1-4H3/b12-10-
InChIKeyNLRFUEFEYREQDL-BENRWUELSA-N
MW349.57 g/mol
LogP3.83
Rot. Bonds4

About trimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane

trimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane (PubChem CID 102078814) has the molecular formula C18H27NO2SSi and a molecular weight of 349.57 g/mol. Its IUPAC name is trimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane.

Molecular Properties

Compound Nametrimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane
PubChem CID102078814
Molecular FormulaC18H27NO2SSi
Molecular Weight349.57 g/mol
Exact Mass349.15
IUPAC Nametrimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane
SMILESCc1ccc(S(=O)(=O)N2CCC3CC3(/C=C\[Si](C)(C)C)C2)cc1
InChIInChI=1S/C18H27NO2SSi/c1-15-5-7-17(8-6-15)22(20,21)19-11-9-16-13-18(16,14-19)10-12-23(2,3)4/h5-8,10,12,16H,9,11,13-14H2,1-4H3/b12-10-
InChIKeyNLRFUEFEYREQDL-BENRWUELSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.57
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (1S,4S,6S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1-[(Z)-2-trimethylsilylethenyl]-3-azabicyclo[4.1.0]heptane-4-carboxylate
CID 132548315
2-[3-(4-methylphenyl)sulfonyl-1-[(Z)-2-trimethylsilylethenyl]-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol
CID 102078815
1-[3a-(hydroxymethyl)-5-(4-methylphenyl)sulfonyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]ethanone
CID 171142770
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
(3R,4S)-3-methyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylpiperidine-4-carbaldehyde
CID 127053517
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine
CID 134861906
trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane
CID 102254531
(1R,6S)-1-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-5-one
CID 122233234
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
(1S,6R)-2-(4-methylphenyl)sulfonyl-2-azabicyclo[4.1.0]heptane-1-carbaldehyde
CID 135009638

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane?
The IUPAC name of trimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane (CID 102078814) is trimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane.
What is the SMILES notation for trimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane?
The canonical SMILES for trimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane is Cc1ccc(S(=O)(=O)N2CCC3CC3(/C=C\[Si](C)(C)C)C2)cc1.
What is the InChIKey of trimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane?
The InChIKey is NLRFUEFEYREQDL-BENRWUELSA-N. The full InChI is InChI=1S/C18H27NO2SSi/c1-15-5-7-17(8-6-15)22(20,21)19-11-9-16-13-18(16,14-19)10-12-23(2,3)4/h5-8,10,12,16H,9,11,13-14H2,1-4H3/b12-10-.
What are the key properties of trimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane?
trimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane has a molecular weight of 349.57 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-2-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-1-yl]ethenyl]silane is sourced from PubChem (CID 102078814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).