2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine

C11H15ClN2S — CID 130631208

IUPAC2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine
SMILESClCC1(Sc2cnccn2)CCCCC1
InChIInChI=1S/C11H15ClN2S/c12-9-11(4-2-1-3-5-11)15-10-8-13-6-7-14-10/h6-8H,1-5,9H2
InChIKeyWXJBZJXVPSGSLC-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.51
Rot. Bonds3

About 2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine

2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine (PubChem CID 130631208) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine.

Molecular Properties

Compound Name2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine
PubChem CID130631208
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine
SMILESClCC1(Sc2cnccn2)CCCCC1
InChIInChI=1S/C11H15ClN2S/c12-9-11(4-2-1-3-5-11)15-10-8-13-6-7-14-10/h6-8H,1-5,9H2
InChIKeyWXJBZJXVPSGSLC-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine?
The IUPAC name of 2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine (CID 130631208) is 2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine.
What is the SMILES notation for 2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine?
The canonical SMILES for 2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine is ClCC1(Sc2cnccn2)CCCCC1.
What is the InChIKey of 2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine?
The InChIKey is WXJBZJXVPSGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c12-9-11(4-2-1-3-5-11)15-10-8-13-6-7-14-10/h6-8H,1-5,9H2.
What are the key properties of 2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine?
2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine has a molecular weight of 242.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(chloromethyl)cyclohexyl]sulfanylpyrazine is sourced from PubChem (CID 130631208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).