(1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene

C14H20N2O2S2 — CID 101251924

IUPAC(1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene
SMILESCC1=CS/C2=C3\SC=C(C)N3CCOCCOCCN12
InChIInChI=1S/C14H20N2O2S2/c1-11-9-19-13-14-16(12(2)10-20-14)4-6-18-8-7-17-5-3-15(11)13/h9-10H,3-8H2,1-2H3/b14-13-
InChIKeyGCSPQAUCMQFOPP-YPKPFQOOSA-N
MW312.46 g/mol
LogP2.98
Rot. Bonds

About (1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene

(1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene (PubChem CID 101251924) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is (1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene.

Molecular Properties

Compound Name(1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene
PubChem CID101251924
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC Name(1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene
SMILESCC1=CS/C2=C3\SC=C(C)N3CCOCCOCCN12
InChIInChI=1S/C14H20N2O2S2/c1-11-9-19-13-14-16(12(2)10-20-14)4-6-18-8-7-17-5-3-15(11)13/h9-10H,3-8H2,1-2H3/b14-13-
InChIKeyGCSPQAUCMQFOPP-YPKPFQOOSA-N
XLogP2.98
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene 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 (1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene?
The IUPAC name of (1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene (CID 101251924) is (1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene.
What is the SMILES notation for (1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene?
The canonical SMILES for (1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene is CC1=CS/C2=C3\SC=C(C)N3CCOCCOCCN12.
What is the InChIKey of (1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene?
The InChIKey is GCSPQAUCMQFOPP-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c1-11-9-19-13-14-16(12(2)10-20-14)4-6-18-8-7-17-5-3-15(11)13/h9-10H,3-8H2,1-2H3/b14-13-.
What are the key properties of (1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene?
(1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene has a molecular weight of 312.46 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5,16-dimethyl-9,12-dioxa-3,18-dithia-6,15-diazatricyclo[13.3.0.02,6]octadeca-1,4,16-triene is sourced from PubChem (CID 101251924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).