tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

C17H23F2N3O5S — CID 176550361

IUPACtert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCc1nc(OC(F)F)ccc1S(=O)(=O)C1N(C(=O)OC(C)(C)C)CC12CNC2
InChIInChI=1S/C17H23F2N3O5S/c1-10-11(5-6-12(21-10)26-14(18)19)28(24,25)13-17(7-20-8-17)9-22(13)15(23)27-16(2,3)4/h5-6,13-14,20H,7-9H2,1-4H3
InChIKeyFBADAJKSEJHAJG-UHFFFAOYSA-N
MW419.45 g/mol
LogP1.93
Rot. Bonds4

About tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 176550361) has the molecular formula C17H23F2N3O5S and a molecular weight of 419.45 g/mol. Its IUPAC name is tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
PubChem CID176550361
Molecular FormulaC17H23F2N3O5S
Molecular Weight419.45 g/mol
Exact Mass419.13
IUPAC Nametert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCc1nc(OC(F)F)ccc1S(=O)(=O)C1N(C(=O)OC(C)(C)C)CC12CNC2
InChIInChI=1S/C17H23F2N3O5S/c1-10-11(5-6-12(21-10)26-14(18)19)28(24,25)13-17(7-20-8-17)9-22(13)15(23)27-16(2,3)4/h5-6,13-14,20H,7-9H2,1-4H3
InChIKeyFBADAJKSEJHAJG-UHFFFAOYSA-N
XLogP1.93
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[(6-bromo-2-methyl-3-pyridinyl)sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 176550350
tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175789532
tert-butyl 3-(4-aminophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175839857
tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175918955
tert-butyl 3-(4-bromo-2,6-difluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 169101643
tert-butyl (5R)-5-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-2-methylidene-6-oxo-1,4-thiazepane-4-carboxylate
CID 177205269
tert-butyl (1S,9R,12R)-5-(difluoromethoxy)-12-methyl-8-oxa-11-thia-6,14-diazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5-triene-14-carboxylate
CID 177207258
tert-butyl 3-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 170562316
tert-butyl 4-[3-[(6-methyl-5-methylsulfonyl-2-pyridinyl)oxy]propyl]piperidine-1-carboxylate
CID 66983158
tert-butyl 2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-6-carboxylate
CID 169160995
tert-butyl 3-fluoro-3-[(4-methylphenyl)sulfonyloxymethyl]azetidine-1-carboxylate
CID 129250649
tert-butyl 3-methylsulfonyloxy-2-azaspiro[3.5]nonane-2-carboxylate
CID 175761391

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 176550361) is tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is Cc1nc(OC(F)F)ccc1S(=O)(=O)C1N(C(=O)OC(C)(C)C)CC12CNC2.
What is the InChIKey of tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The InChIKey is FBADAJKSEJHAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O5S/c1-10-11(5-6-12(21-10)26-14(18)19)28(24,25)13-17(7-20-8-17)9-22(13)15(23)27-16(2,3)4/h5-6,13-14,20H,7-9H2,1-4H3.
What are the key properties of tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 419.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 176550361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).