1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one

C14H22N2O4S — CID 175254326

IUPAC1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one
SMILESCS(=O)(=O)C1(CN2CCC=C(C3CNCCO3)C2=O)CC1
InChIInChI=1S/C14H22N2O4S/c1-21(18,19)14(4-5-14)10-16-7-2-3-11(13(16)17)12-9-15-6-8-20-12/h3,12,15H,2,4-10H2,1H3
InChIKeySGZCGPRPDIFZLI-UHFFFAOYSA-N
MW314.41 g/mol
LogP-0.29
Rot. Bonds4

About 1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one

1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one (PubChem CID 175254326) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one
PubChem CID175254326
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one
SMILESCS(=O)(=O)C1(CN2CCC=C(C3CNCCO3)C2=O)CC1
InChIInChI=1S/C14H22N2O4S/c1-21(18,19)14(4-5-14)10-16-7-2-3-11(13(16)17)12-9-15-6-8-20-12/h3,12,15H,2,4-10H2,1H3
InChIKeySGZCGPRPDIFZLI-UHFFFAOYSA-N
XLogP-0.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one (CID 175254326) is 1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one is CS(=O)(=O)C1(CN2CCC=C(C3CNCCO3)C2=O)CC1.
What is the InChIKey of 1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one?
The InChIKey is SGZCGPRPDIFZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-21(18,19)14(4-5-14)10-16-7-2-3-11(13(16)17)12-9-15-6-8-20-12/h3,12,15H,2,4-10H2,1H3.
What are the key properties of 1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one?
1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one has a molecular weight of 314.41 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylsulfonylcyclopropyl)methyl]-5-morpholin-2-yl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 175254326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).