2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine

C9H14ClN3S — CID 103055108

IUPAC2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSCc1cnc(Cl)cn1
InChIInChI=1S/C9H14ClN3S/c1-13(2)3-4-14-7-8-5-12-9(10)6-11-8/h5-6H,3-4,7H2,1-2H3
InChIKeyFOYODHWKWKGRDM-UHFFFAOYSA-N
MW231.75 g/mol
LogP1.92
Rot. Bonds5

About 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine

2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine (PubChem CID 103055108) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine
PubChem CID103055108
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSCc1cnc(Cl)cn1
InChIInChI=1S/C9H14ClN3S/c1-13(2)3-4-14-7-8-5-12-9(10)6-11-8/h5-6H,3-4,7H2,1-2H3
InChIKeyFOYODHWKWKGRDM-UHFFFAOYSA-N
XLogP1.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine (CID 103055108) is 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine is CN(C)CCSCc1cnc(Cl)cn1.
What is the InChIKey of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine?
The InChIKey is FOYODHWKWKGRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-13(2)3-4-14-7-8-5-12-9(10)6-11-8/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine?
2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine has a molecular weight of 231.75 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine is sourced from PubChem (CID 103055108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).