3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one

C11H15ClN2O3S2 — CID 64608490

IUPAC3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1CN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC(C)S1
InChIInChI=1S/C11H15ClN2O3S2/c1-7-5-14(6-8(2)18-7)19(16,17)9-3-10(12)11(15)13-4-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,15)
InChIKeyFTMJFSZPQCCDLM-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.54
Rot. Bonds2

About 3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one

3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 64608490) has the molecular formula C11H15ClN2O3S2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one
PubChem CID64608490
Molecular FormulaC11H15ClN2O3S2
Molecular Weight322.84 g/mol
Exact Mass322.02
IUPAC Name3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1CN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC(C)S1
InChIInChI=1S/C11H15ClN2O3S2/c1-7-5-14(6-8(2)18-7)19(16,17)9-3-10(12)11(15)13-4-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,15)
InChIKeyFTMJFSZPQCCDLM-UHFFFAOYSA-N
XLogP1.54
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64607501
3-chloro-5-(4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608867
3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one
CID 95434185
3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64606339
3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608428
3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64609062
3-chloro-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1H-pyridin-2-one
CID 64607284
methyl 1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxylate
CID 64607854
3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 64608278
3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64606726
3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one
CID 114490490
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607116

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one (CID 64608490) is 3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one is CC1CN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC(C)S1.
What is the InChIKey of 3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is FTMJFSZPQCCDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S2/c1-7-5-14(6-8(2)18-7)19(16,17)9-3-10(12)11(15)13-4-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,15).
What are the key properties of 3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 322.84 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 64608490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).