N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine

C10H8N2OS — CID 71412112

IUPACN-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine
SMILES[O-][n+]1ccccc1N=Cc1cccs1
InChIInChI=1S/C10H8N2OS/c13-12-6-2-1-5-10(12)11-8-9-4-3-7-14-9/h1-8H
InChIKeyRJXZSGOPXPNUEN-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.13
Rot. Bonds2

About N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine

N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine (PubChem CID 71412112) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine
PubChem CID71412112
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC NameN-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine
SMILES[O-][n+]1ccccc1N=Cc1cccs1
InChIInChI=1S/C10H8N2OS/c13-12-6-2-1-5-10(12)11-8-9-4-3-7-14-9/h1-8H
InChIKeyRJXZSGOPXPNUEN-UHFFFAOYSA-N
XLogP2.13
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine (CID 71412112) is N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine is [O-][n+]1ccccc1N=Cc1cccs1.
What is the InChIKey of N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine?
The InChIKey is RJXZSGOPXPNUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-12-6-2-1-5-10(12)11-8-9-4-3-7-14-9/h1-8H.
What are the key properties of N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine?
N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine has a molecular weight of 204.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 71412112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).