10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione

About 10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione

10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione (PubChem CID 106460594) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione.

Molecular Properties

Compound Name	10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione
PubChem CID	106460594
Molecular Formula	C15H18N2O2S
Molecular Weight	290.39 g/mol
Exact Mass	290.11
IUPAC Name	10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione
SMILES	COc1ccc2c(c1)OC1(C)CC2NC(=S)N1C1CC1
InChI	InChI=1S/C15H18N2O2S/c1-15-8-12(16-14(20)17(15)9-3-4-9)11-6-5-10(18-2)7-13(11)19-15/h5-7,9,12H,3-4,8H2,1-2H3,(H,16,20)
InChIKey	GJGWXOLXEBYJLM-UHFFFAOYSA-N
XLogP	2.59
TPSA	33.73 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.39
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione?

The IUPAC name of 10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione (CID 106460594) is 10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione.

What is the SMILES notation for 10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione?

The canonical SMILES for 10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione is COc1ccc2c(c1)OC1(C)CC2NC(=S)N1C1CC1.

What is the InChIKey of 10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione?

The InChIKey is GJGWXOLXEBYJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-15-8-12(16-14(20)17(15)9-3-4-9)11-6-5-10(18-2)7-13(11)19-15/h5-7,9,12H,3-4,8H2,1-2H3,(H,16,20).

What are the key properties of 10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione?

10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione has a molecular weight of 290.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-cyclopropyl-5-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione is sourced from PubChem (CID 106460594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).