2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine

C10H16N2O2S — CID 79042453

IUPAC2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine
SMILESCc1ncccc1NC(C)CS(C)(=O)=O
InChIInChI=1S/C10H16N2O2S/c1-8(7-15(3,13)14)12-10-5-4-6-11-9(10)2/h4-6,8,12H,7H2,1-3H3
InChIKeyHXYSCWJADZACTE-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.24
Rot. Bonds4

About 2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine

2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine (PubChem CID 79042453) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine
PubChem CID79042453
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine
SMILESCc1ncccc1NC(C)CS(C)(=O)=O
InChIInChI=1S/C10H16N2O2S/c1-8(7-15(3,13)14)12-10-5-4-6-11-9(10)2/h4-6,8,12H,7H2,1-3H3
InChIKeyHXYSCWJADZACTE-UHFFFAOYSA-N
XLogP1.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine?
The IUPAC name of 2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine (CID 79042453) is 2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine?
The canonical SMILES for 2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine is Cc1ncccc1NC(C)CS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine?
The InChIKey is HXYSCWJADZACTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(7-15(3,13)14)12-10-5-4-6-11-9(10)2/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine?
2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine has a molecular weight of 228.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 79042453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).