3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one

C8H9F3N2O3S — CID 90102378

IUPAC3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(S(=O)(=O)CN)c(=O)[nH]1
InChIInChI=1S/C8H9F3N2O3S/c1-4-2-5(8(9,10)11)6(7(14)13-4)17(15,16)3-12/h2H,3,12H2,1H3,(H,13,14)
InChIKeyMBPAAXNRUWQXPO-UHFFFAOYSA-N
MW270.23 g/mol
LogP0.39
Rot. Bonds2

About 3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one

3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 90102378) has the molecular formula C8H9F3N2O3S and a molecular weight of 270.23 g/mol. Its IUPAC name is 3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID90102378
Molecular FormulaC8H9F3N2O3S
Molecular Weight270.23 g/mol
Exact Mass270.03
IUPAC Name3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(S(=O)(=O)CN)c(=O)[nH]1
InChIInChI=1S/C8H9F3N2O3S/c1-4-2-5(8(9,10)11)6(7(14)13-4)17(15,16)3-12/h2H,3,12H2,1H3,(H,13,14)
InChIKeyMBPAAXNRUWQXPO-UHFFFAOYSA-N
XLogP0.39
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 90102378) is 3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(C(F)(F)F)c(S(=O)(=O)CN)c(=O)[nH]1.
What is the InChIKey of 3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is MBPAAXNRUWQXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3S/c1-4-2-5(8(9,10)11)6(7(14)13-4)17(15,16)3-12/h2H,3,12H2,1H3,(H,13,14).
What are the key properties of 3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 270.23 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 90102378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).