6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione

C15H20N2O3S — CID 4874149

IUPAC6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
SMILESCC(C)n1c(=O)c2c3c(sc2n(C)c1=O)COC(C)(C)C3
InChIInChI=1S/C15H20N2O3S/c1-8(2)17-12(18)11-9-6-15(3,4)20-7-10(9)21-13(11)16(5)14(17)19/h8H,6-7H2,1-5H3
InChIKeySHOSTAKGOTYZGH-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.19
Rot. Bonds1

About 6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione

6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione (PubChem CID 4874149) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione.

Molecular Properties

Compound Name6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
PubChem CID4874149
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
SMILESCC(C)n1c(=O)c2c3c(sc2n(C)c1=O)COC(C)(C)C3
InChIInChI=1S/C15H20N2O3S/c1-8(2)17-12(18)11-9-6-15(3,4)20-7-10(9)21-13(11)16(5)14(17)19/h8H,6-7H2,1-5H3
InChIKeySHOSTAKGOTYZGH-UHFFFAOYSA-N
XLogP2.19
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione?
The IUPAC name of 6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione (CID 4874149) is 6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione.
What is the SMILES notation for 6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione?
The canonical SMILES for 6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione is CC(C)n1c(=O)c2c3c(sc2n(C)c1=O)COC(C)(C)C3.
What is the InChIKey of 6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione?
The InChIKey is SHOSTAKGOTYZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-8(2)17-12(18)11-9-6-15(3,4)20-7-10(9)21-13(11)16(5)14(17)19/h8H,6-7H2,1-5H3.
What are the key properties of 6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione?
6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione has a molecular weight of 308.40 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12,12-trimethyl-4-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione is sourced from PubChem (CID 4874149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).