(6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine

C15H28F3N5O2SSi — CID 165370456

IUPAC(6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
SMILESCN(CC(F)(F)F)[C@@H]1COc2c(S(N)(=O)=N[Si](C)(C)C(C)(C)C)cnn2C1
InChIInChI=1S/C15H28F3N5O2SSi/c1-14(2,3)27(5,6)21-26(19,24)12-7-20-23-8-11(9-25-13(12)23)22(4)10-15(16,17)18/h7,11H,8-10H2,1-6H3,(H2,19,21,24)/t11-,26?/m0/s1
InChIKeyICSFOJCADYBGPE-AIGWJHGLSA-N
MW427.57 g/mol
LogP2.84
Rot. Bonds4

About (6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine

(6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine (PubChem CID 165370456) has the molecular formula C15H28F3N5O2SSi and a molecular weight of 427.57 g/mol. Its IUPAC name is (6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine.

Molecular Properties

Compound Name(6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
PubChem CID165370456
Molecular FormulaC15H28F3N5O2SSi
Molecular Weight427.57 g/mol
Exact Mass427.17
IUPAC Name(6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
SMILESCN(CC(F)(F)F)[C@@H]1COc2c(S(N)(=O)=N[Si](C)(C)C(C)(C)C)cnn2C1
InChIInChI=1S/C15H28F3N5O2SSi/c1-14(2,3)27(5,6)21-26(19,24)12-7-20-23-8-11(9-25-13(12)23)22(4)10-15(16,17)18/h7,11H,8-10H2,1-6H3,(H2,19,21,24)/t11-,26?/m0/s1
InChIKeyICSFOJCADYBGPE-AIGWJHGLSA-N
XLogP2.84
TPSA85.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 138579578
2,2,2-trifluoro-N-methyl-N-[(6S)-3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]acetamide
CID 146303257
(6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
CID 165369872
(6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 165369932
(6S)-N-[tert-butyl(dimethyl)silyl]-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 165370338
N-[tert-butyl(dimethyl)silyl]-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 168750951
3-(Aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 168750985
6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
CID 169713253
6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 169727527
(6S)-N-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 169838009
3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 175813974
3-(aminosulfonimidoyl)-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
CID 175814507

Frequently Asked Questions

What is the IUPAC name of (6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine?
The IUPAC name of (6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine (CID 165370456) is (6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine.
What is the SMILES notation for (6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine?
The canonical SMILES for (6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine is CN(CC(F)(F)F)[C@@H]1COc2c(S(N)(=O)=N[Si](C)(C)C(C)(C)C)cnn2C1.
What is the InChIKey of (6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine?
The InChIKey is ICSFOJCADYBGPE-AIGWJHGLSA-N. The full InChI is InChI=1S/C15H28F3N5O2SSi/c1-14(2,3)27(5,6)21-26(19,24)12-7-20-23-8-11(9-25-13(12)23)22(4)10-15(16,17)18/h7,11H,8-10H2,1-6H3,(H2,19,21,24)/t11-,26?/m0/s1.
What are the key properties of (6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine?
(6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine has a molecular weight of 427.57 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine is sourced from PubChem (CID 165370456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).