(9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide

C19H19N3O3S — CID 11838137

IUPAC(9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide
SMILESCOc1ccc2c(c1)C1NC(=S)N[C@@](C)(O2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-19-15(17(23)20-11-6-4-3-5-7-11)16(21-18(26)22-19)13-10-12(24-2)8-9-14(13)25-19/h3-10,15-16H,1-2H3,(H,20,23)(H2,21,22,26)/t15?,16?,19-/m0/s1
InChIKeyTXUWMFIDWFWSOA-RJYAGPCLSA-N
MW369.45 g/mol
LogP2.58
Rot. Bonds3

About (9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide

(9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide (PubChem CID 11838137) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide.

Molecular Properties

Compound Name(9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide
PubChem CID11838137
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide
SMILESCOc1ccc2c(c1)C1NC(=S)N[C@@](C)(O2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-19-15(17(23)20-11-6-4-3-5-7-11)16(21-18(26)22-19)13-10-12(24-2)8-9-14(13)25-19/h3-10,15-16H,1-2H3,(H,20,23)(H2,21,22,26)/t15?,16?,19-/m0/s1
InChIKeyTXUWMFIDWFWSOA-RJYAGPCLSA-N
XLogP2.58
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide 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 (9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide?
The IUPAC name of (9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide (CID 11838137) is (9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide.
What is the SMILES notation for (9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide?
The canonical SMILES for (9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide is COc1ccc2c(c1)C1NC(=S)N[C@@](C)(O2)C1C(=O)Nc1ccccc1.
What is the InChIKey of (9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide?
The InChIKey is TXUWMFIDWFWSOA-RJYAGPCLSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-19-15(17(23)20-11-6-4-3-5-7-11)16(21-18(26)22-19)13-10-12(24-2)8-9-14(13)25-19/h3-10,15-16H,1-2H3,(H,20,23)(H2,21,22,26)/t15?,16?,19-/m0/s1.
What are the key properties of (9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide?
(9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-4-methoxy-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide is sourced from PubChem (CID 11838137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).