(1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane

C18H37NO2SSi — CID 102211243

IUPAC(1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane
SMILESCC(C)(C)S(=O)(=O)N1C([Si](C)(C)C)C12CCCCCCCCC2
InChIInChI=1S/C18H37NO2SSi/c1-17(2,3)22(20,21)19-16(23(4,5)6)18(19)14-12-10-8-7-9-11-13-15-18/h16H,7-15H2,1-6H3
InChIKeyCMSOPZZYSRPMBU-UHFFFAOYSA-N
MW359.65 g/mol
LogP4.94
Rot. Bonds2

About (1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane

(1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane (PubChem CID 102211243) has the molecular formula C18H37NO2SSi and a molecular weight of 359.65 g/mol. Its IUPAC name is (1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane
PubChem CID102211243
Molecular FormulaC18H37NO2SSi
Molecular Weight359.65 g/mol
Exact Mass359.23
IUPAC Name(1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane
SMILESCC(C)(C)S(=O)(=O)N1C([Si](C)(C)C)C12CCCCCCCCC2
InChIInChI=1S/C18H37NO2SSi/c1-17(2,3)22(20,21)19-16(23(4,5)6)18(19)14-12-10-8-7-9-11-13-15-18/h16H,7-15H2,1-6H3
InChIKeyCMSOPZZYSRPMBU-UHFFFAOYSA-N
XLogP4.94
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane?
The IUPAC name of (1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane (CID 102211243) is (1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane.
What is the SMILES notation for (1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane?
The canonical SMILES for (1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane is CC(C)(C)S(=O)(=O)N1C([Si](C)(C)C)C12CCCCCCCCC2.
What is the InChIKey of (1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane?
The InChIKey is CMSOPZZYSRPMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2SSi/c1-17(2,3)22(20,21)19-16(23(4,5)6)18(19)14-12-10-8-7-9-11-13-15-18/h16H,7-15H2,1-6H3.
What are the key properties of (1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane?
(1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane has a molecular weight of 359.65 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane is sourced from PubChem (CID 102211243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).