11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide

C17H22N2OS — CID 11847751

IUPAC11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
SMILESCC(C)(C)C1CCCc2nc3sc(C(N)=O)cc3cc2C1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)12-5-4-6-13-10(8-12)7-11-9-14(15(18)20)21-16(11)19-13/h7,9,12H,4-6,8H2,1-3H3,(H2,18,20)
InChIKeyGYHSTIYRPFBGRN-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.94
Rot. Bonds1

About 11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide

11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide (PubChem CID 11847751) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide.

Molecular Properties

Compound Name11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
PubChem CID11847751
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
SMILESCC(C)(C)C1CCCc2nc3sc(C(N)=O)cc3cc2C1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)12-5-4-6-13-10(8-12)7-11-9-14(15(18)20)21-16(11)19-13/h7,9,12H,4-6,8H2,1-3H3,(H2,18,20)
InChIKeyGYHSTIYRPFBGRN-UHFFFAOYSA-N
XLogP3.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-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 11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide?
The IUPAC name of 11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide (CID 11847751) is 11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide.
What is the SMILES notation for 11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide?
The canonical SMILES for 11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide is CC(C)(C)C1CCCc2nc3sc(C(N)=O)cc3cc2C1.
What is the InChIKey of 11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide?
The InChIKey is GYHSTIYRPFBGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-17(2,3)12-5-4-6-13-10(8-12)7-11-9-14(15(18)20)21-16(11)19-13/h7,9,12H,4-6,8H2,1-3H3,(H2,18,20).
What are the key properties of 11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide?
11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide is sourced from PubChem (CID 11847751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).