5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one

C13H20N2O3S — CID 54863769

IUPAC5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC2CCS(=O)(=O)CC2)ccc1=O
InChIInChI=1S/C13H20N2O3S/c1-2-7-15-10-12(3-4-13(15)16)14-11-5-8-19(17,18)9-6-11/h3-4,10-11,14H,2,5-9H2,1H3
InChIKeyZLVIICRDQZZFPO-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.25
Rot. Bonds4

About 5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one

5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one (PubChem CID 54863769) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one
PubChem CID54863769
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC2CCS(=O)(=O)CC2)ccc1=O
InChIInChI=1S/C13H20N2O3S/c1-2-7-15-10-12(3-4-13(15)16)14-11-5-8-19(17,18)9-6-11/h3-4,10-11,14H,2,5-9H2,1H3
InChIKeyZLVIICRDQZZFPO-UHFFFAOYSA-N
XLogP1.25
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one?
The IUPAC name of 5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one (CID 54863769) is 5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one is CCCn1cc(NC2CCS(=O)(=O)CC2)ccc1=O.
What is the InChIKey of 5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one?
The InChIKey is ZLVIICRDQZZFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-7-15-10-12(3-4-13(15)16)14-11-5-8-19(17,18)9-6-11/h3-4,10-11,14H,2,5-9H2,1H3.
What are the key properties of 5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one?
5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one has a molecular weight of 284.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one is sourced from PubChem (CID 54863769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).