3-(methylsulfonylmethyl)pyridin-2-amine

C7H10N2O2S — CID 117212620

IUPAC3-(methylsulfonylmethyl)pyridin-2-amine
SMILESCS(=O)(=O)Cc1cccnc1N
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)5-6-3-2-4-9-7(6)8/h2-4H,5H2,1H3,(H2,8,9)
InChIKeyDOZQIHOYFKVKPG-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.21
Rot. Bonds2

About 3-(methylsulfonylmethyl)pyridin-2-amine

3-(methylsulfonylmethyl)pyridin-2-amine (PubChem CID 117212620) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)pyridin-2-amine
PubChem CID117212620
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-(methylsulfonylmethyl)pyridin-2-amine
SMILESCS(=O)(=O)Cc1cccnc1N
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)5-6-3-2-4-9-7(6)8/h2-4H,5H2,1H3,(H2,8,9)
InChIKeyDOZQIHOYFKVKPG-UHFFFAOYSA-N
XLogP0.21
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)pyridin-2-amine?
The IUPAC name of 3-(methylsulfonylmethyl)pyridin-2-amine (CID 117212620) is 3-(methylsulfonylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-(methylsulfonylmethyl)pyridin-2-amine?
The canonical SMILES for 3-(methylsulfonylmethyl)pyridin-2-amine is CS(=O)(=O)Cc1cccnc1N.
What is the InChIKey of 3-(methylsulfonylmethyl)pyridin-2-amine?
The InChIKey is DOZQIHOYFKVKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-12(10,11)5-6-3-2-4-9-7(6)8/h2-4H,5H2,1H3,(H2,8,9).
What are the key properties of 3-(methylsulfonylmethyl)pyridin-2-amine?
3-(methylsulfonylmethyl)pyridin-2-amine has a molecular weight of 186.24 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)pyridin-2-amine is sourced from PubChem (CID 117212620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).