(1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane

C14H31NO2SSi — CID 102211236

IUPAC(1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane
SMILESCCCCCC1C([Si](C)(C)C)N1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H31NO2SSi/c1-8-9-10-11-12-13(19(5,6)7)15(12)18(16,17)14(2,3)4/h12-13H,8-11H2,1-7H3
InChIKeyWUZALXLIBVXQBX-UHFFFAOYSA-N
MW305.56 g/mol
LogP3.63
Rot. Bonds6

About (1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane

(1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane (PubChem CID 102211236) has the molecular formula C14H31NO2SSi and a molecular weight of 305.56 g/mol. Its IUPAC name is (1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane
PubChem CID102211236
Molecular FormulaC14H31NO2SSi
Molecular Weight305.56 g/mol
Exact Mass305.18
IUPAC Name(1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane
SMILESCCCCCC1C([Si](C)(C)C)N1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H31NO2SSi/c1-8-9-10-11-12-13(19(5,6)7)15(12)18(16,17)14(2,3)4/h12-13H,8-11H2,1-7H3
InChIKeyWUZALXLIBVXQBX-UHFFFAOYSA-N
XLogP3.63
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.56
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane?
The IUPAC name of (1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane (CID 102211236) is (1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane.
What is the SMILES notation for (1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane?
The canonical SMILES for (1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane is CCCCCC1C([Si](C)(C)C)N1S(=O)(=O)C(C)(C)C.
What is the InChIKey of (1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane?
The InChIKey is WUZALXLIBVXQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2SSi/c1-8-9-10-11-12-13(19(5,6)7)15(12)18(16,17)14(2,3)4/h12-13H,8-11H2,1-7H3.
What are the key properties of (1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane?
(1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane has a molecular weight of 305.56 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane is sourced from PubChem (CID 102211236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).