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

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Related Compounds

6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine
CID 80648375
N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66450933
2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid
CID 114335466
5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid
CID 114919770
4-(6-bromo-2-pyridinyl)-3-methylsulfonylthiomorpholine
CID 66383475
4-(2-chloro-4-pyridinyl)-3-methylsulfonylthiomorpholine
CID 102824290
4-[3-(chloromethyl)-4-pyridinyl]-3-methylsulfonylthiomorpholine
CID 81233805
5-amino-3-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)benzamide
CID 107196208
5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile
CID 66383257
4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine
CID 79915838
N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
CID 104535174
6-(3-methylsulfonylthiomorpholin-4-yl)pyridine-2-carbothioamide
CID 66382679

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).