2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane

C13H29NO2SSi — CID 101391946

IUPAC2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane
SMILESCCCCCC[C@@H]1CN1S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C13H29NO2SSi/c1-5-6-7-8-9-13-12-14(13)17(15,16)10-11-18(2,3)4/h13H,5-12H2,1-4H3/t13-,14?/m1/s1
InChIKeyLQWXNNTWNPHNOK-KWCCSABGSA-N
MW291.53 g/mol
LogP3.31
Rot. Bonds9

About 2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane

2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane (PubChem CID 101391946) has the molecular formula C13H29NO2SSi and a molecular weight of 291.53 g/mol. Its IUPAC name is 2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane
PubChem CID101391946
Molecular FormulaC13H29NO2SSi
Molecular Weight291.53 g/mol
Exact Mass291.17
IUPAC Name2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane
SMILESCCCCCC[C@@H]1CN1S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C13H29NO2SSi/c1-5-6-7-8-9-13-12-14(13)17(15,16)10-11-18(2,3)4/h13H,5-12H2,1-4H3/t13-,14?/m1/s1
InChIKeyLQWXNNTWNPHNOK-KWCCSABGSA-N
XLogP3.31
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 53.31
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane?
The IUPAC name of 2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane (CID 101391946) is 2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane.
What is the SMILES notation for 2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane?
The canonical SMILES for 2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane is CCCCCC[C@@H]1CN1S(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of 2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane?
The InChIKey is LQWXNNTWNPHNOK-KWCCSABGSA-N. The full InChI is InChI=1S/C13H29NO2SSi/c1-5-6-7-8-9-13-12-14(13)17(15,16)10-11-18(2,3)4/h13H,5-12H2,1-4H3/t13-,14?/m1/s1.
What are the key properties of 2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane?
2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane has a molecular weight of 291.53 g/mol, XLogP of 3.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane is sourced from PubChem (CID 101391946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).