10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione

C15H21N3O4S2 — CID 176502510

About 10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione

10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione (PubChem CID 176502510) has the molecular formula C15H21N3O4S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione.

Molecular Properties

• Compound Name: 10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione
• PubChem CID: 176502510
• Molecular Formula: C15H21N3O4S2
• Molecular Weight: 371.48 g/mol
• Exact Mass: 371.10
• IUPAC Name: 10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione
• SMILES: CCN1C(=O)CN(C)C(=O)c2c1sc1c2CCN(S(=O)(=O)CC)C1
• InChI: InChI=1S/C15H21N3O4S2/c1-4-18-12(19)9-16(3)14(20)13-10-6-7-17(24(21,22)5-2)8-11(10)23-15(13)18/h4-9H2,1-3H3
• InChIKey: BAXMWVISVNDBQU-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 78.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.48
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione?

The IUPAC name of 10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione (CID 176502510) is 10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione.

What is the SMILES notation for 10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione?

The canonical SMILES for 10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione is CCN1C(=O)CN(C)C(=O)c2c1sc1c2CCN(S(=O)(=O)CC)C1.

What is the InChIKey of 10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione?

The InChIKey is BAXMWVISVNDBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S2/c1-4-18-12(19)9-16(3)14(20)13-10-6-7-17(24(21,22)5-2)8-11(10)23-15(13)18/h4-9H2,1-3H3.

What are the key properties of 10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione?

10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione has a molecular weight of 371.48 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-ethyl-5-ethylsulfonyl-13-methyl-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione is sourced from PubChem (CID 176502510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).