(6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone

C10H12ClN3O3S2 — CID 66383223

IUPAC(6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN3O3S2/c1-19(16,17)9-6-18-5-4-14(9)10(15)7-2-3-8(11)13-12-7/h2-3,9H,4-6H2,1H3
InChIKeyLMPIYSKUZXCODM-UHFFFAOYSA-N
MW321.81 g/mol
LogP0.69
Rot. Bonds2

About (6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone

(6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 66383223) has the molecular formula C10H12ClN3O3S2 and a molecular weight of 321.81 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
PubChem CID66383223
Molecular FormulaC10H12ClN3O3S2
Molecular Weight321.81 g/mol
Exact Mass321.00
IUPAC Name(6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN3O3S2/c1-19(16,17)9-6-18-5-4-14(9)10(15)7-2-3-8(11)13-12-7/h2-3,9H,4-6H2,1H3
InChIKeyLMPIYSKUZXCODM-UHFFFAOYSA-N
XLogP0.69
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383330
(2-bromo-4-chlorophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 103765707
2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103749673
(4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383483
(3-bromo-2-pyridinyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 107519120
[1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 107499127
(2,3-difluorophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66382642
(4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66370150
(4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 103888895
4-(3-methylsulfonylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 66384140
3-(3-methylsulfonylthiomorpholin-4-yl)-3-oxopropanethioamide
CID 66384218
(6-ethylsulfanyl-3-pyridinyl)-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone
CID 125131191

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of (6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone (CID 66383223) is (6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for (6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone is CS(=O)(=O)C1CSCCN1C(=O)c1ccc(Cl)nn1.
What is the InChIKey of (6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is LMPIYSKUZXCODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3S2/c1-19(16,17)9-6-18-5-4-14(9)10(15)7-2-3-8(11)13-12-7/h2-3,9H,4-6H2,1H3.
What are the key properties of (6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
(6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 321.81 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 66383223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).