1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine

C10H14N2S — CID 123309164

IUPAC1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine
SMILESC=NN=C(C)C1=CC(C)C(C)=CS1
InChIInChI=1S/C10H14N2S/c1-7-5-10(9(3)12-11-4)13-6-8(7)2/h5-7H,4H2,1-3H3
InChIKeyFQOFCXHJOOOYLV-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.23
Rot. Bonds2

About 1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine

1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine (PubChem CID 123309164) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine.

Molecular Properties

Compound Name1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine
PubChem CID123309164
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine
SMILESC=NN=C(C)C1=CC(C)C(C)=CS1
InChIInChI=1S/C10H14N2S/c1-7-5-10(9(3)12-11-4)13-6-8(7)2/h5-7H,4H2,1-3H3
InChIKeyFQOFCXHJOOOYLV-UHFFFAOYSA-N
XLogP3.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,E)-N-(methylideneamino)-6-(methylsulfanylmethyl)oct-5-en-4-imine
CID 123177897

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine?
The IUPAC name of 1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine (CID 123309164) is 1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine.
What is the SMILES notation for 1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine?
The canonical SMILES for 1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine is C=NN=C(C)C1=CC(C)C(C)=CS1.
What is the InChIKey of 1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine?
The InChIKey is FQOFCXHJOOOYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-7-5-10(9(3)12-11-4)13-6-8(7)2/h5-7H,4H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine?
1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine has a molecular weight of 194.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-4H-thiopyran-2-yl)-N-(methylideneamino)ethanimine is sourced from PubChem (CID 123309164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).