5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one

C9H14N2O3S — CID 43444655

IUPAC5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one
SMILESCCS(=O)(=O)CCn1cc(N)ccc1=O
InChIInChI=1S/C9H14N2O3S/c1-2-15(13,14)6-5-11-7-8(10)3-4-9(11)12/h3-4,7H,2,5-6,10H2,1H3
InChIKeyWDFKHWPDMUGRHY-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.13
Rot. Bonds4

About 5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one

5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one (PubChem CID 43444655) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one
PubChem CID43444655
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one
SMILESCCS(=O)(=O)CCn1cc(N)ccc1=O
InChIInChI=1S/C9H14N2O3S/c1-2-15(13,14)6-5-11-7-8(10)3-4-9(11)12/h3-4,7H,2,5-6,10H2,1H3
InChIKeyWDFKHWPDMUGRHY-UHFFFAOYSA-N
XLogP-0.13
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one (CID 43444655) is 5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one is CCS(=O)(=O)CCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one?
The InChIKey is WDFKHWPDMUGRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-2-15(13,14)6-5-11-7-8(10)3-4-9(11)12/h3-4,7H,2,5-6,10H2,1H3.
What are the key properties of 5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one?
5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one has a molecular weight of 230.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-ethylsulfonylethyl)pyridin-2-one is sourced from PubChem (CID 43444655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).