5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine

C11H14N2S — CID 114620088

IUPAC5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine
SMILESNc1ccc(SC2C=CCCC2)cn1
InChIInChI=1S/C11H14N2S/c12-11-7-6-10(8-13-11)14-9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2,(H2,12,13)
InChIKeyUIZPXJZQLYOTLY-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.86
Rot. Bonds2

About 5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine

5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine (PubChem CID 114620088) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine
PubChem CID114620088
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine
SMILESNc1ccc(SC2C=CCCC2)cn1
InChIInChI=1S/C11H14N2S/c12-11-7-6-10(8-13-11)14-9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2,(H2,12,13)
InChIKeyUIZPXJZQLYOTLY-UHFFFAOYSA-N
XLogP2.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine?
The IUPAC name of 5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine (CID 114620088) is 5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine.
What is the SMILES notation for 5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine?
The canonical SMILES for 5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine is Nc1ccc(SC2C=CCCC2)cn1.
What is the InChIKey of 5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine?
The InChIKey is UIZPXJZQLYOTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c12-11-7-6-10(8-13-11)14-9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2,(H2,12,13).
What are the key properties of 5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine?
5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine has a molecular weight of 206.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-2-en-1-ylsulfanylpyridin-2-amine is sourced from PubChem (CID 114620088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).