(10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene

C11H15ClN4S — CID 134265666

IUPAC(10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
SMILESCSc1nc(Cl)c2c(n1)N1CCNC[C@H]1CC2
InChIInChI=1S/C11H15ClN4S/c1-17-11-14-9(12)8-3-2-7-6-13-4-5-16(7)10(8)15-11/h7,13H,2-6H2,1H3/t7-/m1/s1
InChIKeyGSIMGGRPVGMDAW-SSDOTTSWSA-N
MW270.79 g/mol
LogP1.58
Rot. Bonds1

About (10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene

(10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene (PubChem CID 134265666) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is (10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene.

Molecular Properties

Compound Name(10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
PubChem CID134265666
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC Name(10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
SMILESCSc1nc(Cl)c2c(n1)N1CCNC[C@H]1CC2
InChIInChI=1S/C11H15ClN4S/c1-17-11-14-9(12)8-3-2-7-6-13-4-5-16(7)10(8)15-11/h7,13H,2-6H2,1H3/t7-/m1/s1
InChIKeyGSIMGGRPVGMDAW-SSDOTTSWSA-N
XLogP1.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The IUPAC name of (10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene (CID 134265666) is (10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene.
What is the SMILES notation for (10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The canonical SMILES for (10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene is CSc1nc(Cl)c2c(n1)N1CCNC[C@H]1CC2.
What is the InChIKey of (10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The InChIKey is GSIMGGRPVGMDAW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15ClN4S/c1-17-11-14-9(12)8-3-2-7-6-13-4-5-16(7)10(8)15-11/h7,13H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
(10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene has a molecular weight of 270.79 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene is sourced from PubChem (CID 134265666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).