tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane

C22H31NO3SSi — CID 174155987

IUPACtert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane
SMILESCC1CNC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CS1(=O)=O
InChIInChI=1S/C22H31NO3SSi/c1-18-15-23-19(17-27(18,24)25)16-26-28(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,23H,15-17H2,1-4H3
InChIKeyIACIYDDUTAYGGZ-UHFFFAOYSA-N
MW417.65 g/mol
LogP2.34
Rot. Bonds5

About tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane

tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane (PubChem CID 174155987) has the molecular formula C22H31NO3SSi and a molecular weight of 417.65 g/mol. Its IUPAC name is tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane
PubChem CID174155987
Molecular FormulaC22H31NO3SSi
Molecular Weight417.65 g/mol
Exact Mass417.18
IUPAC Nametert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane
SMILESCC1CNC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CS1(=O)=O
InChIInChI=1S/C22H31NO3SSi/c1-18-15-23-19(17-27(18,24)25)16-26-28(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,23H,15-17H2,1-4H3
InChIKeyIACIYDDUTAYGGZ-UHFFFAOYSA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.65
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane (CID 174155987) is tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane is CC1CNC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CS1(=O)=O.
What is the InChIKey of tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane?
The InChIKey is IACIYDDUTAYGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3SSi/c1-18-15-23-19(17-27(18,24)25)16-26-28(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,23H,15-17H2,1-4H3.
What are the key properties of tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane?
tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane has a molecular weight of 417.65 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane is sourced from PubChem (CID 174155987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).