[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone

C12H26N2O4SSi2 — CID 139202492

IUPAC[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone
SMILESC[Si]1(C)CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[Si](C)(C)O1
InChIInChI=1S/C12H26N2O4SSi2/c1-19(16,17)14-8-6-7-11(14)12(15)13-9-20(2,3)18-21(4,5)10-13/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyAZKYVBGYHQXIHX-NSHDSACASA-N
MW350.59 g/mol
LogP0.76
Rot. Bonds2

About [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone

[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone (PubChem CID 139202492) has the molecular formula C12H26N2O4SSi2 and a molecular weight of 350.59 g/mol. Its IUPAC name is [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone
PubChem CID139202492
Molecular FormulaC12H26N2O4SSi2
Molecular Weight350.59 g/mol
Exact Mass350.12
IUPAC Name[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone
SMILESC[Si]1(C)CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[Si](C)(C)O1
InChIInChI=1S/C12H26N2O4SSi2/c1-19(16,17)14-8-6-7-11(14)12(15)13-9-20(2,3)18-21(4,5)10-13/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyAZKYVBGYHQXIHX-NSHDSACASA-N
XLogP0.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.59
LogP ≤ 50.76
H-Bond Donors ≤ 50
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 [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone?
The IUPAC name of [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone (CID 139202492) is [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone.
What is the SMILES notation for [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone?
The canonical SMILES for [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone is C[Si]1(C)CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[Si](C)(C)O1.
What is the InChIKey of [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone?
The InChIKey is AZKYVBGYHQXIHX-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N2O4SSi2/c1-19(16,17)14-8-6-7-11(14)12(15)13-9-20(2,3)18-21(4,5)10-13/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone?
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone has a molecular weight of 350.59 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone is sourced from PubChem (CID 139202492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).