4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine

C9H12ClN3O2S2 — CID 66383089

IUPAC4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1c1cncc(Cl)n1
InChIInChI=1S/C9H12ClN3O2S2/c1-17(14,15)9-6-16-3-2-13(9)8-5-11-4-7(10)12-8/h4-5,9H,2-3,6H2,1H3
InChIKeyPNPUETMASCOXQP-UHFFFAOYSA-N
MW293.80 g/mol
LogP1.05
Rot. Bonds2

About 4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine

4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine (PubChem CID 66383089) has the molecular formula C9H12ClN3O2S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine
PubChem CID66383089
Molecular FormulaC9H12ClN3O2S2
Molecular Weight293.80 g/mol
Exact Mass293.01
IUPAC Name4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1c1cncc(Cl)n1
InChIInChI=1S/C9H12ClN3O2S2/c1-17(14,15)9-6-16-3-2-13(9)8-5-11-4-7(10)12-8/h4-5,9H,2-3,6H2,1H3
InChIKeyPNPUETMASCOXQP-UHFFFAOYSA-N
XLogP1.05
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(2-thiomorpholin-4-ylsulfonylethyl)pyrazin-2-amine
CID 53626240
4-(3-Fluoropyrazin-2-yl)-1lambda6-thiomorpholine-1,1-dione
CID 164657204
4-(3-Chloropyrazin-2-yl)thiomorpholine
CID 56828886
N-(5-Chloro-2-pyrazinyl)-N-methylethanesulfonamide
CID 58574105
4-(6-Chloropyrazin-2-yl)thiomorpholine
CID 58851959
4-(5-Bromo-6-chloro-pyrazin-2-YL)-thiomorpholine 1,1-dioxide
CID 58851973
2-(2-methylsulfonyl-2H-pyrazin-1-yl)pyrazine
CID 140494765
(5-Chloropyrazin-2-yl)imino-diethyl-oxo-lambda6-sulfane
CID 167266751
1-(5-Chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide
CID 167267178
2-[4-(2-Methylsulfonylethyl)piperazin-1-yl]pyrazine
CID 47020626
2-Chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine
CID 47294923
2-Chloro-6-(4-ethylsulfonylpiperazin-1-yl)pyrazine
CID 49608137

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine?
The IUPAC name of 4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine (CID 66383089) is 4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine.
What is the SMILES notation for 4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine?
The canonical SMILES for 4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine is CS(=O)(=O)C1CSCCN1c1cncc(Cl)n1.
What is the InChIKey of 4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine?
The InChIKey is PNPUETMASCOXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S2/c1-17(14,15)9-6-16-3-2-13(9)8-5-11-4-7(10)12-8/h4-5,9H,2-3,6H2,1H3.
What are the key properties of 4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine?
4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine has a molecular weight of 293.80 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine is sourced from PubChem (CID 66383089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).