5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one

C10H14N2O4S — CID 43629324

IUPAC5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1COCCN1S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H14N2O4S/c1-8-7-16-5-4-12(8)17(14,15)9-2-3-10(13)11-6-9/h2-3,6,8H,4-5,7H2,1H3,(H,11,13)
InChIKeyFTDZLOCGJOSPRM-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.22
Rot. Bonds2

About 5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one

5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 43629324) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
PubChem CID43629324
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1COCCN1S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H14N2O4S/c1-8-7-16-5-4-12(8)17(14,15)9-2-3-10(13)11-6-9/h2-3,6,8H,4-5,7H2,1H3,(H,11,13)
InChIKeyFTDZLOCGJOSPRM-UHFFFAOYSA-N
XLogP-0.22
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (CID 43629324) is 5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is CC1COCCN1S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is FTDZLOCGJOSPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-8-7-16-5-4-12(8)17(14,15)9-2-3-10(13)11-6-9/h2-3,6,8H,4-5,7H2,1H3,(H,11,13).
What are the key properties of 5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 258.30 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 43629324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).