6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide

C10H16N2O5S2 — CID 154646334

IUPAC6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide
SMILESCC12CCC3(NS(=O)(=O)C3(S(N)(=O)=O)C1=O)C2(C)C
InChIInChI=1S/C10H16N2O5S2/c1-7(2)8(3)4-5-9(7)10(6(8)13,18(11,14)15)19(16,17)12-9/h12H,4-5H2,1-3H3,(H2,11,14,15)
InChIKeyHFSLNPQZXPGAKR-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.95
Rot. Bonds1

About 6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide

6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide (PubChem CID 154646334) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide.

Molecular Properties

Compound Name6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide
PubChem CID154646334
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC Name6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide
SMILESCC12CCC3(NS(=O)(=O)C3(S(N)(=O)=O)C1=O)C2(C)C
InChIInChI=1S/C10H16N2O5S2/c1-7(2)8(3)4-5-9(7)10(6(8)13,18(11,14)15)19(16,17)12-9/h12H,4-5H2,1-3H3,(H2,11,14,15)
InChIKeyHFSLNPQZXPGAKR-UHFFFAOYSA-N
XLogP-0.95
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide?
The IUPAC name of 6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide (CID 154646334) is 6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide.
What is the SMILES notation for 6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide?
The canonical SMILES for 6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide is CC12CCC3(NS(=O)(=O)C3(S(N)(=O)=O)C1=O)C2(C)C.
What is the InChIKey of 6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide?
The InChIKey is HFSLNPQZXPGAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-7(2)8(3)4-5-9(7)10(6(8)13,18(11,14)15)19(16,17)12-9/h12H,4-5H2,1-3H3,(H2,11,14,15).
What are the key properties of 6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide?
6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide has a molecular weight of 308.38 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide is sourced from PubChem (CID 154646334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).