[(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane

C19H41NO2SSi — CID 102211244

IUPAC[(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane
SMILESCCCCCCCCCC[C@H]1[C@H]([Si](C)(C)C)N1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C19H41NO2SSi/c1-8-9-10-11-12-13-14-15-16-17-18(24(5,6)7)20(17)23(21,22)19(2,3)4/h17-18H,8-16H2,1-7H3/t17-,18-,20?/m0/s1
InChIKeyZLBMDIIBFGZGTG-IJXZTRCJSA-N
MW375.70 g/mol
LogP5.58
Rot. Bonds11

About [(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane

[(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane (PubChem CID 102211244) has the molecular formula C19H41NO2SSi and a molecular weight of 375.70 g/mol. Its IUPAC name is [(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane
PubChem CID102211244
Molecular FormulaC19H41NO2SSi
Molecular Weight375.70 g/mol
Exact Mass375.26
IUPAC Name[(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane
SMILESCCCCCCCCCC[C@H]1[C@H]([Si](C)(C)C)N1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C19H41NO2SSi/c1-8-9-10-11-12-13-14-15-16-17-18(24(5,6)7)20(17)23(21,22)19(2,3)4/h17-18H,8-16H2,1-7H3/t17-,18-,20?/m0/s1
InChIKeyZLBMDIIBFGZGTG-IJXZTRCJSA-N
XLogP5.58
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.70
LogP ≤ 55.58
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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Related Compounds

1-Tert-butylsulfonyl-2-decylaziridine
CID 73006692
(2R)-1-tert-butylsulfonyl-2-decylaziridine
CID 11558540
2-(2-Butylaziridin-1-yl)sulfonylethyl-trimethylsilane
CID 60166571
(1-Tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane
CID 102211236
[(2R,3R)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane
CID 134998515
Trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane
CID 10592780
trimethyl-[2-[(2R)-2-nonylaziridin-1-yl]sulfonylethyl]silane
CID 11256087
2-[(2R)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane
CID 101391946
2-[(2S)-2-hexylaziridin-1-yl]sulfonylethyl-trimethylsilane
CID 101391947
(2S)-1-tert-butylsulfonyl-2-decylaziridine
CID 102211235
(1-Tert-butylsulfonyl-1-azaspiro[2.9]dodecan-2-yl)-trimethylsilane
CID 102211243
trimethyl-[2-[(2S)-2-pentylaziridin-1-yl]sulfonylethyl]silane
CID 177621950

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane?
The IUPAC name of [(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane (CID 102211244) is [(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane.
What is the SMILES notation for [(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane?
The canonical SMILES for [(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane is CCCCCCCCCC[C@H]1[C@H]([Si](C)(C)C)N1S(=O)(=O)C(C)(C)C.
What is the InChIKey of [(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane?
The InChIKey is ZLBMDIIBFGZGTG-IJXZTRCJSA-N. The full InChI is InChI=1S/C19H41NO2SSi/c1-8-9-10-11-12-13-14-15-16-17-18(24(5,6)7)20(17)23(21,22)19(2,3)4/h17-18H,8-16H2,1-7H3/t17-,18-,20?/m0/s1.
What are the key properties of [(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane?
[(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane has a molecular weight of 375.70 g/mol, XLogP of 5.58, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane is sourced from PubChem (CID 102211244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).