(10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide

C12H13F3NO10S2- — CID 140750791

IUPAC(10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=C1OC2C3OC4(CCCC4)OC3OC2C1OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H13F3NO10S2/c13-12(14,15)27(18,19)16-28(20,21)26-7-5-6(22-9(7)17)8-10(23-5)25-11(24-8)3-1-2-4-11/h5-8,10H,1-4H2/q-1
InChIKeyYHJJGKNBYXJCPD-UHFFFAOYSA-N
MW452.36 g/mol
LogP0.18
Rot. Bonds4

About (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide

(10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 140750791) has the molecular formula C12H13F3NO10S2- and a molecular weight of 452.36 g/mol. Its IUPAC name is (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name(10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID140750791
Molecular FormulaC12H13F3NO10S2-
Molecular Weight452.36 g/mol
Exact Mass451.99
IUPAC Name(10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=C1OC2C3OC4(CCCC4)OC3OC2C1OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H13F3NO10S2/c13-12(14,15)27(18,19)16-28(20,21)26-7-5-6(22-9(7)17)8-10(23-5)25-11(24-8)3-1-2-4-11/h5-8,10H,1-4H2/q-1
InChIKeyYHJJGKNBYXJCPD-UHFFFAOYSA-N
XLogP0.18
TPSA145.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide (CID 140750791) is (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide is O=C1OC2C3OC4(CCCC4)OC3OC2C1OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is YHJJGKNBYXJCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3NO10S2/c13-12(14,15)27(18,19)16-28(20,21)26-7-5-6(22-9(7)17)8-10(23-5)25-11(24-8)3-1-2-4-11/h5-8,10H,1-4H2/q-1.
What are the key properties of (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide?
(10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 452.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 140750791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).