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

C19H41NO2SSi — CID 134998515

IUPAC[(2R,3R)-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?/m1/s1
InChIKeyZLBMDIIBFGZGTG-KUBVQFIISA-N
MW375.70 g/mol
LogP5.58
Rot. Bonds11

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

[(2R,3R)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane (PubChem CID 134998515) has the molecular formula C19H41NO2SSi and a molecular weight of 375.70 g/mol. Its IUPAC name is [(2R,3R)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2R,3R)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane
PubChem CID134998515
Molecular FormulaC19H41NO2SSi
Molecular Weight375.70 g/mol
Exact Mass375.26
IUPAC Name[(2R,3R)-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?/m1/s1
InChIKeyZLBMDIIBFGZGTG-KUBVQFIISA-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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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane?
The IUPAC name of [(2R,3R)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane (CID 134998515) is [(2R,3R)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane.
What is the SMILES notation for [(2R,3R)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane?
The canonical SMILES for [(2R,3R)-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 [(2R,3R)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane?
The InChIKey is ZLBMDIIBFGZGTG-KUBVQFIISA-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?/m1/s1.
What are the key properties of [(2R,3R)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane?
[(2R,3R)-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 [(2R,3R)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane is sourced from PubChem (CID 134998515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).