2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane

C11H24N2O3SSi — CID 67311148

IUPAC2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCS(=O)(=O)N1CCO[C@@H]2CNC[C@@H]21
InChIInChI=1S/C11H24N2O3SSi/c1-18(2,3)7-6-17(14,15)13-4-5-16-11-9-12-8-10(11)13/h10-12H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyBPRFANNQFDALKO-WDEREUQCSA-N
MW292.48 g/mol
LogP0.33
Rot. Bonds4

About 2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane

2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane (PubChem CID 67311148) has the molecular formula C11H24N2O3SSi and a molecular weight of 292.48 g/mol. Its IUPAC name is 2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane
PubChem CID67311148
Molecular FormulaC11H24N2O3SSi
Molecular Weight292.48 g/mol
Exact Mass292.13
IUPAC Name2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCS(=O)(=O)N1CCO[C@@H]2CNC[C@@H]21
InChIInChI=1S/C11H24N2O3SSi/c1-18(2,3)7-6-17(14,15)13-4-5-16-11-9-12-8-10(11)13/h10-12H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyBPRFANNQFDALKO-WDEREUQCSA-N
XLogP0.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.48
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane?
The IUPAC name of 2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane (CID 67311148) is 2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane is C[Si](C)(C)CCS(=O)(=O)N1CCO[C@@H]2CNC[C@@H]21.
What is the InChIKey of 2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane?
The InChIKey is BPRFANNQFDALKO-WDEREUQCSA-N. The full InChI is InChI=1S/C11H24N2O3SSi/c1-18(2,3)7-6-17(14,15)13-4-5-16-11-9-12-8-10(11)13/h10-12H,4-9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of 2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane?
2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane has a molecular weight of 292.48 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]sulfonyl]ethyl-trimethylsilane is sourced from PubChem (CID 67311148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).