4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine

C10H14ClN3S — CID 107373569

IUPAC4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine
SMILESCC1CN(c2cnc(CCl)cn2)CCS1
InChIInChI=1S/C10H14ClN3S/c1-8-7-14(2-3-15-8)10-6-12-9(4-11)5-13-10/h5-6,8H,2-4,7H2,1H3
InChIKeyAFRXWAOYFVXKQQ-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.16
Rot. Bonds2

About 4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine

4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine (PubChem CID 107373569) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine.

Molecular Properties

Compound Name4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine
PubChem CID107373569
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine
SMILESCC1CN(c2cnc(CCl)cn2)CCS1
InChIInChI=1S/C10H14ClN3S/c1-8-7-14(2-3-15-8)10-6-12-9(4-11)5-13-10/h5-6,8H,2-4,7H2,1H3
InChIKeyAFRXWAOYFVXKQQ-UHFFFAOYSA-N
XLogP2.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine?
The IUPAC name of 4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine (CID 107373569) is 4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine.
What is the SMILES notation for 4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine?
The canonical SMILES for 4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine is CC1CN(c2cnc(CCl)cn2)CCS1.
What is the InChIKey of 4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine?
The InChIKey is AFRXWAOYFVXKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-8-7-14(2-3-15-8)10-6-12-9(4-11)5-13-10/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine?
4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine has a molecular weight of 243.76 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine is sourced from PubChem (CID 107373569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).