(5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C26H26N4O5S — CID 67350559

About (5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

(5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 67350559) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 g/mol. Its IUPAC name is (5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 67350559
• Molecular Formula: C26H26N4O5S
• Molecular Weight: 506.58 g/mol
• Exact Mass: 506.16
• IUPAC Name: (5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• SMILES: O=C1CSc2ccc(N3C[C@@H](CCCN[C@H]4c5cccc6ccc(=O)n(c56)[C@@H]4CO)OC3=O)cc2N1
• InChI: InChI=1S/C26H26N4O5S/c31-13-20-24(18-5-1-3-15-6-9-23(33)30(20)25(15)18)27-10-2-4-17-12-29(26(34)35-17)16-7-8-21-19(11-16)28-22(32)14-36-21/h1,3,5-9,11,17,20,24,27,31H,2,4,10,12-14H2,(H,28,32)/t17-,20-,24+/m1/s1
• InChIKey: DSAQFXBYMZDRPW-PWAGRJGVSA-N
• XLogP: 3.03
• TPSA: 112.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.58
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 67350559) is (5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is O=C1CSc2ccc(N3C[C@@H](CCCN[C@H]4c5cccc6ccc(=O)n(c56)[C@@H]4CO)OC3=O)cc2N1.

What is the InChIKey of (5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The InChIKey is DSAQFXBYMZDRPW-PWAGRJGVSA-N. The full InChI is InChI=1S/C26H26N4O5S/c31-13-20-24(18-5-1-3-15-6-9-23(33)30(20)25(15)18)27-10-2-4-17-12-29(26(34)35-17)16-7-8-21-19(11-16)28-22(32)14-36-21/h1,3,5-9,11,17,20,24,27,31H,2,4,10,12-14H2,(H,28,32)/t17-,20-,24+/m1/s1.

What are the key properties of (5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

(5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 506.58 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[3-[[(2S,3S)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67350559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).