6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene

C17H19NS — CID 144859018

IUPAC6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene
SMILESCC1=CC=C2SC3=C(C=CC(C)C=C3)N(C)C2=CC1
InChIInChI=1S/C17H19NS/c1-12-4-8-14-16(10-6-12)19-17-11-7-13(2)5-9-15(17)18(14)3/h4,6-12H,5H2,1-3H3
InChIKeyLFWSWNUVVRZKNO-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.76
Rot. Bonds

About 6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene

6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene (PubChem CID 144859018) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene.

Molecular Properties

Compound Name6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene
PubChem CID144859018
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene
SMILESCC1=CC=C2SC3=C(C=CC(C)C=C3)N(C)C2=CC1
InChIInChI=1S/C17H19NS/c1-12-4-8-14-16(10-6-12)19-17-11-7-13(2)5-9-15(17)18(14)3/h4,6-12H,5H2,1-3H3
InChIKeyLFWSWNUVVRZKNO-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene?
The IUPAC name of 6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene (CID 144859018) is 6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene.
What is the SMILES notation for 6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene?
The canonical SMILES for 6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene is CC1=CC=C2SC3=C(C=CC(C)C=C3)N(C)C2=CC1.
What is the InChIKey of 6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene?
The InChIKey is LFWSWNUVVRZKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-12-4-8-14-16(10-6-12)19-17-11-7-13(2)5-9-15(17)18(14)3/h4,6-12H,5H2,1-3H3.
What are the key properties of 6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene?
6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene has a molecular weight of 269.41 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14-trimethyl-2-thia-10-azatricyclo[9.5.0.03,9]hexadeca-1(11),3,5,8,12,15-hexaene is sourced from PubChem (CID 144859018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).