6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine

C11H14N2S — CID 114620087

IUPAC6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine
SMILESNc1ccc(SC2C=CCCC2)nc1
InChIInChI=1S/C11H14N2S/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h2,4,6-8,10H,1,3,5,12H2
InChIKeyINRJWYJRVDKYFP-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.86
Rot. Bonds2

About 6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine

6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine (PubChem CID 114620087) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine
PubChem CID114620087
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine
SMILESNc1ccc(SC2C=CCCC2)nc1
InChIInChI=1S/C11H14N2S/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h2,4,6-8,10H,1,3,5,12H2
InChIKeyINRJWYJRVDKYFP-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 6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine?
The IUPAC name of 6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine (CID 114620087) is 6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine.
What is the SMILES notation for 6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine?
The canonical SMILES for 6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine is Nc1ccc(SC2C=CCCC2)nc1.
What is the InChIKey of 6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine?
The InChIKey is INRJWYJRVDKYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h2,4,6-8,10H,1,3,5,12H2.
What are the key properties of 6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine?
6-cyclohex-2-en-1-ylsulfanylpyridin-3-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 6-cyclohex-2-en-1-ylsulfanylpyridin-3-amine is sourced from PubChem (CID 114620087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).