(3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C16H17N3O4S — CID 7526721

About (3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

(3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 7526721) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is (3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

• Compound Name: (3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
• PubChem CID: 7526721
• Molecular Formula: C16H17N3O4S
• Molecular Weight: 347.40 g/mol
• Exact Mass: 347.09
• IUPAC Name: (3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
• SMILES: Cc1cc(NS(=O)(=O)c2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)no1
• InChI: InChI=1S/C16H17N3O4S/c1-9-6-14(17-23-9)18-24(21,22)12-7-11-4-3-5-19-15(11)13(8-12)10(2)16(19)20/h6-8,10H,3-5H2,1-2H3,(H,17,18)/t10-/m0/s1
• InChIKey: DONQALSAJTYKAH-JTQLQIEISA-N
• XLogP: 2.18
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.40
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?

The IUPAC name of (3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 7526721) is (3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

What is the SMILES notation for (3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?

The canonical SMILES for (3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is Cc1cc(NS(=O)(=O)c2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)no1.

What is the InChIKey of (3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?

The InChIKey is DONQALSAJTYKAH-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-9-6-14(17-23-9)18-24(21,22)12-7-11-4-3-5-19-15(11)13(8-12)10(2)16(19)20/h6-8,10H,3-5H2,1-2H3,(H,17,18)/t10-/m0/s1.

What are the key properties of (3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?

(3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 7526721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).