2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C15H27F2N3OS2Si — CID 150663549

IUPAC2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(C)(C)[Si](C)(C)N=S(N)(=O)c1cc2c(s1)CCN(CC(F)F)C2
InChIInChI=1S/C15H27F2N3OS2Si/c1-15(2,3)24(4,5)19-23(18,21)14-8-11-9-20(10-13(16)17)7-6-12(11)22-14/h8,13H,6-7,9-10H2,1-5H3,(H2,18,19,21)
InChIKeyJEJNITNRFWFMTI-UHFFFAOYSA-N
MW395.62 g/mol
LogP4.08
Rot. Bonds4

About 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 150663549) has the molecular formula C15H27F2N3OS2Si and a molecular weight of 395.62 g/mol. Its IUPAC name is 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID150663549
Molecular FormulaC15H27F2N3OS2Si
Molecular Weight395.62 g/mol
Exact Mass395.13
IUPAC Name2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(C)(C)[Si](C)(C)N=S(N)(=O)c1cc2c(s1)CCN(CC(F)F)C2
InChIInChI=1S/C15H27F2N3OS2Si/c1-15(2,3)24(4,5)19-23(18,21)14-8-11-9-20(10-13(16)17)7-6-12(11)22-14/h8,13H,6-7,9-10H2,1-5H3,(H2,18,19,21)
InChIKeyJEJNITNRFWFMTI-UHFFFAOYSA-N
XLogP4.08
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.62
LogP ≤ 54.08
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-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 150663549) is 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC(C)(C)[Si](C)(C)N=S(N)(=O)c1cc2c(s1)CCN(CC(F)F)C2.
What is the InChIKey of 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is JEJNITNRFWFMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3OS2Si/c1-15(2,3)24(4,5)19-23(18,21)14-8-11-9-20(10-13(16)17)7-6-12(11)22-14/h8,13H,6-7,9-10H2,1-5H3,(H2,18,19,21).
What are the key properties of 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 395.62 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 150663549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).