5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine

C15H20N2OS — CID 145166949

IUPAC5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine
SMILESCc1ccc2cncn2c1OSCC1CCCCC1
InChIInChI=1S/C15H20N2OS/c1-12-7-8-14-9-16-11-17(14)15(12)18-19-10-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3
InChIKeyBHHYRNQZWOCAMK-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.25
Rot. Bonds4

About 5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine

5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine (PubChem CID 145166949) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine
PubChem CID145166949
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine
SMILESCc1ccc2cncn2c1OSCC1CCCCC1
InChIInChI=1S/C15H20N2OS/c1-12-7-8-14-9-16-11-17(14)15(12)18-19-10-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3
InChIKeyBHHYRNQZWOCAMK-UHFFFAOYSA-N
XLogP4.25
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine?
The IUPAC name of 5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine (CID 145166949) is 5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine.
What is the SMILES notation for 5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine?
The canonical SMILES for 5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine is Cc1ccc2cncn2c1OSCC1CCCCC1.
What is the InChIKey of 5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine?
The InChIKey is BHHYRNQZWOCAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-12-7-8-14-9-16-11-17(14)15(12)18-19-10-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3.
What are the key properties of 5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine?
5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine has a molecular weight of 276.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine is sourced from PubChem (CID 145166949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).