6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene

C15H19NOS — CID 170410849

IUPAC6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESCc1ccc2c3c(csc13)CCN(C)CCCO2
InChIInChI=1S/C15H19NOS/c1-11-4-5-13-14-12(10-18-15(11)14)6-8-16(2)7-3-9-17-13/h4-5,10H,3,6-9H2,1-2H3
InChIKeyKKYJUZFPIUFHEN-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.47
Rot. Bonds

About 6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene

6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene (PubChem CID 170410849) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene.

Molecular Properties

Compound Name6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene
PubChem CID170410849
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESCc1ccc2c3c(csc13)CCN(C)CCCO2
InChIInChI=1S/C15H19NOS/c1-11-4-5-13-14-12(10-18-15(11)14)6-8-16(2)7-3-9-17-13/h4-5,10H,3,6-9H2,1-2H3
InChIKeyKKYJUZFPIUFHEN-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene?
The IUPAC name of 6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene (CID 170410849) is 6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene.
What is the SMILES notation for 6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene?
The canonical SMILES for 6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene is Cc1ccc2c3c(csc13)CCN(C)CCCO2.
What is the InChIKey of 6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene?
The InChIKey is KKYJUZFPIUFHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11-4-5-13-14-12(10-18-15(11)14)6-8-16(2)7-3-9-17-13/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene?
6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene has a molecular weight of 261.39 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dimethyl-2-oxa-11-thia-6-azatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene is sourced from PubChem (CID 170410849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).