3-(2-ethylsulfonylethyl)pyridin-2-amine

C9H14N2O2S — CID 106731715

IUPAC3-(2-ethylsulfonylethyl)pyridin-2-amine
SMILESCCS(=O)(=O)CCc1cccnc1N
InChIInChI=1S/C9H14N2O2S/c1-2-14(12,13)7-5-8-4-3-6-11-9(8)10/h3-4,6H,2,5,7H2,1H3,(H2,10,11)
InChIKeyOTTBGZRYGFPJOI-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.64
Rot. Bonds4

About 3-(2-ethylsulfonylethyl)pyridin-2-amine

3-(2-ethylsulfonylethyl)pyridin-2-amine (PubChem CID 106731715) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-(2-ethylsulfonylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2-ethylsulfonylethyl)pyridin-2-amine
PubChem CID106731715
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-(2-ethylsulfonylethyl)pyridin-2-amine
SMILESCCS(=O)(=O)CCc1cccnc1N
InChIInChI=1S/C9H14N2O2S/c1-2-14(12,13)7-5-8-4-3-6-11-9(8)10/h3-4,6H,2,5,7H2,1H3,(H2,10,11)
InChIKeyOTTBGZRYGFPJOI-UHFFFAOYSA-N
XLogP0.64
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfonylethyl)pyridin-2-amine?
The IUPAC name of 3-(2-ethylsulfonylethyl)pyridin-2-amine (CID 106731715) is 3-(2-ethylsulfonylethyl)pyridin-2-amine.
What is the SMILES notation for 3-(2-ethylsulfonylethyl)pyridin-2-amine?
The canonical SMILES for 3-(2-ethylsulfonylethyl)pyridin-2-amine is CCS(=O)(=O)CCc1cccnc1N.
What is the InChIKey of 3-(2-ethylsulfonylethyl)pyridin-2-amine?
The InChIKey is OTTBGZRYGFPJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-14(12,13)7-5-8-4-3-6-11-9(8)10/h3-4,6H,2,5,7H2,1H3,(H2,10,11).
What are the key properties of 3-(2-ethylsulfonylethyl)pyridin-2-amine?
3-(2-ethylsulfonylethyl)pyridin-2-amine has a molecular weight of 214.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfonylethyl)pyridin-2-amine is sourced from PubChem (CID 106731715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).