1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine

C10H16N2O2S — CID 66446140

IUPAC1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine
SMILESCc1ccc(CC(N)CS(C)(=O)=O)nc1
InChIInChI=1S/C10H16N2O2S/c1-8-3-4-10(12-6-8)5-9(11)7-15(2,13)14/h3-4,6,9H,5,7,11H2,1-2H3
InChIKeyCKMGFRCDPKHVTG-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.30
Rot. Bonds4

About 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine

1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine (PubChem CID 66446140) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine
PubChem CID66446140
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine
SMILESCc1ccc(CC(N)CS(C)(=O)=O)nc1
InChIInChI=1S/C10H16N2O2S/c1-8-3-4-10(12-6-8)5-9(11)7-15(2,13)14/h3-4,6,9H,5,7,11H2,1-2H3
InChIKeyCKMGFRCDPKHVTG-UHFFFAOYSA-N
XLogP0.30
TPSA73.05 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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine (CID 66446140) is 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine is Cc1ccc(CC(N)CS(C)(=O)=O)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine?
The InChIKey is CKMGFRCDPKHVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8-3-4-10(12-6-8)5-9(11)7-15(2,13)14/h3-4,6,9H,5,7,11H2,1-2H3.
What are the key properties of 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine?
1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine has a molecular weight of 228.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine is sourced from PubChem (CID 66446140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).