5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one

C10H16N2O3S — CID 43444654

IUPAC5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one
SMILESCCS(=O)(=O)CCCn1cc(N)ccc1=O
InChIInChI=1S/C10H16N2O3S/c1-2-16(14,15)7-3-6-12-8-9(11)4-5-10(12)13/h4-5,8H,2-3,6-7,11H2,1H3
InChIKeyMQBGPNCGTYUXBI-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.26
Rot. Bonds5

About 5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one

5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one (PubChem CID 43444654) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one
PubChem CID43444654
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one
SMILESCCS(=O)(=O)CCCn1cc(N)ccc1=O
InChIInChI=1S/C10H16N2O3S/c1-2-16(14,15)7-3-6-12-8-9(11)4-5-10(12)13/h4-5,8H,2-3,6-7,11H2,1H3
InChIKeyMQBGPNCGTYUXBI-UHFFFAOYSA-N
XLogP0.26
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one (CID 43444654) is 5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one is CCS(=O)(=O)CCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one?
The InChIKey is MQBGPNCGTYUXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-16(14,15)7-3-6-12-8-9(11)4-5-10(12)13/h4-5,8H,2-3,6-7,11H2,1H3.
What are the key properties of 5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one?
5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one has a molecular weight of 244.32 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-ethylsulfonylpropyl)pyridin-2-one is sourced from PubChem (CID 43444654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).