4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

C15H18ClN3O2S — CID 70676607

IUPAC4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
SMILESCC1(C)OCCc2c1sc1c(N3CCOCC3)nc(Cl)nc21
InChIInChI=1S/C15H18ClN3O2S/c1-15(2)12-9(3-6-21-15)10-11(22-12)13(18-14(16)17-10)19-4-7-20-8-5-19/h3-8H2,1-2H3
InChIKeyHXKPEAMIKFTMSF-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.99
Rot. Bonds1

About 4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene (PubChem CID 70676607) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.

Molecular Properties

Compound Name4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
PubChem CID70676607
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
SMILESCC1(C)OCCc2c1sc1c(N3CCOCC3)nc(Cl)nc21
InChIInChI=1S/C15H18ClN3O2S/c1-15(2)12-9(3-6-21-15)10-11(22-12)13(18-14(16)17-10)19-4-7-20-8-5-19/h3-8H2,1-2H3
InChIKeyHXKPEAMIKFTMSF-UHFFFAOYSA-N
XLogP2.99
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
The IUPAC name of 4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene (CID 70676607) is 4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
What is the SMILES notation for 4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
The canonical SMILES for 4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene is CC1(C)OCCc2c1sc1c(N3CCOCC3)nc(Cl)nc21.
What is the InChIKey of 4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
The InChIKey is HXKPEAMIKFTMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-15(2)12-9(3-6-21-15)10-11(22-12)13(18-14(16)17-10)19-4-7-20-8-5-19/h3-8H2,1-2H3.
What are the key properties of 4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene has a molecular weight of 339.85 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene is sourced from PubChem (CID 70676607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).