RNBMTAPLGSSOCX-UHFFFAOYSA-N

C₁₂H₁₃F₃N₂O₃S₂ — CID 151743691

About RNBMTAPLGSSOCX-UHFFFAOYSA-N

RNBMTAPLGSSOCX-UHFFFAOYSA-N (PubChem CID 151743691) has the molecular formula C₁₂H₁₃F₃N₂O₃S₂ and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazol-5-yl]-N-methoxymethanimine.

Molecular Properties

• Compound Name: RNBMTAPLGSSOCX-UHFFFAOYSA-N
• PubChem CID: 151743691
• Molecular Formula: C₁₂H₁₃F₃N₂O₃S₂
• Molecular Weight: 354.38 g/mol
• Exact Mass: 354.03
• IUPAC Name: 1-[4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazol-5-yl]-N-methoxymethanimine
• SMILES: CON=Cc1sc(S(=O)(=O)CCC(F)=C(F)F)nc1C1CC1
• InChI: InChI=1S/C12H13F3N2O3S2/c1-20-16-6-9-10(7-2-3-7)17-12(21-9)22(18,19)5-4-8(13)11(14)15/h6-7H,2-5H2,1H3
• InChIKey: RNBMTAPLGSSOCX-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 68.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.38
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of RNBMTAPLGSSOCX-UHFFFAOYSA-N?

The IUPAC name of RNBMTAPLGSSOCX-UHFFFAOYSA-N (CID 151743691) is 1-[4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazol-5-yl]-N-methoxymethanimine.

What is the SMILES notation for RNBMTAPLGSSOCX-UHFFFAOYSA-N?

The canonical SMILES for RNBMTAPLGSSOCX-UHFFFAOYSA-N is CON=Cc1sc(S(=O)(=O)CCC(F)=C(F)F)nc1C1CC1.

What is the InChIKey of RNBMTAPLGSSOCX-UHFFFAOYSA-N?

The InChIKey is RNBMTAPLGSSOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3S2/c1-20-16-6-9-10(7-2-3-7)17-12(21-9)22(18,19)5-4-8(13)11(14)15/h6-7H,2-5H2,1H3.

What are the key properties of RNBMTAPLGSSOCX-UHFFFAOYSA-N?

RNBMTAPLGSSOCX-UHFFFAOYSA-N has a molecular weight of 354.38 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for RNBMTAPLGSSOCX-UHFFFAOYSA-N is sourced from PubChem (CID 151743691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151743691 — identifiers, structure, computed properties (public domain)

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