6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene

C11H10N6S2 — CID 53466643

IUPAC6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
SMILESc1cnc2c(n1)sc1c(N3CCSCC3)nnnc12
InChIInChI=1S/C11H10N6S2/c1-2-13-11-8(12-1)7-9(19-11)10(15-16-14-7)17-3-5-18-6-4-17/h1-2H,3-6H2
InChIKeyAICIWZMVNDUSKC-UHFFFAOYSA-N
MW290.38 g/mol
LogP1.58
Rot. Bonds1

About 6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene

6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene (PubChem CID 53466643) has the molecular formula C11H10N6S2 and a molecular weight of 290.38 g/mol. Its IUPAC name is 6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene.

Molecular Properties

Compound Name6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
PubChem CID53466643
Molecular FormulaC11H10N6S2
Molecular Weight290.38 g/mol
Exact Mass290.04
IUPAC Name6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
SMILESc1cnc2c(n1)sc1c(N3CCSCC3)nnnc12
InChIInChI=1S/C11H10N6S2/c1-2-13-11-8(12-1)7-9(19-11)10(15-16-14-7)17-3-5-18-6-4-17/h1-2H,3-6H2
InChIKeyAICIWZMVNDUSKC-UHFFFAOYSA-N
XLogP1.58
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
The IUPAC name of 6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene (CID 53466643) is 6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene.
What is the SMILES notation for 6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
The canonical SMILES for 6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene is c1cnc2c(n1)sc1c(N3CCSCC3)nnnc12.
What is the InChIKey of 6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
The InChIKey is AICIWZMVNDUSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6S2/c1-2-13-11-8(12-1)7-9(19-11)10(15-16-14-7)17-3-5-18-6-4-17/h1-2H,3-6H2.
What are the key properties of 6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene has a molecular weight of 290.38 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene is sourced from PubChem (CID 53466643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).