[4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane

C17H29NO2SSi — CID 127026012

IUPAC[4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane
SMILESCC(Cc1ccc([Si](C)(C)C)cc1)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C17H29NO2SSi/c1-15(14-18-9-11-21(19,20)12-10-18)13-16-5-7-17(8-6-16)22(2,3)4/h5-8,15H,9-14H2,1-4H3
InChIKeyBTRUINKZEMKGDS-UHFFFAOYSA-N
MW339.58 g/mol
LogP2.14
Rot. Bonds5

About [4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane

[4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane (PubChem CID 127026012) has the molecular formula C17H29NO2SSi and a molecular weight of 339.58 g/mol. Its IUPAC name is [4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane
PubChem CID127026012
Molecular FormulaC17H29NO2SSi
Molecular Weight339.58 g/mol
Exact Mass339.17
IUPAC Name[4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane
SMILESCC(Cc1ccc([Si](C)(C)C)cc1)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C17H29NO2SSi/c1-15(14-18-9-11-21(19,20)12-10-18)13-16-5-7-17(8-6-16)22(2,3)4/h5-8,15H,9-14H2,1-4H3
InChIKeyBTRUINKZEMKGDS-UHFFFAOYSA-N
XLogP2.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.58
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane (CID 127026012) is [4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane is CC(Cc1ccc([Si](C)(C)C)cc1)CN1CCS(=O)(=O)CC1.
What is the InChIKey of [4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane?
The InChIKey is BTRUINKZEMKGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2SSi/c1-15(14-18-9-11-21(19,20)12-10-18)13-16-5-7-17(8-6-16)22(2,3)4/h5-8,15H,9-14H2,1-4H3.
What are the key properties of [4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane?
[4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane has a molecular weight of 339.58 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane is sourced from PubChem (CID 127026012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).