1-(2-methylsulfonyl-4-pyridinyl)ethanamine

C8H12N2O2S — CID 68653792

IUPAC1-(2-methylsulfonyl-4-pyridinyl)ethanamine
SMILESCC(N)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C8H12N2O2S/c1-6(9)7-3-4-10-8(5-7)13(2,11)12/h3-6H,9H2,1-2H3
InChIKeyLWQSZEJKKNHTNA-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.50
Rot. Bonds2

About 1-(2-methylsulfonyl-4-pyridinyl)ethanamine

1-(2-methylsulfonyl-4-pyridinyl)ethanamine (PubChem CID 68653792) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-(2-methylsulfonyl-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2-methylsulfonyl-4-pyridinyl)ethanamine
PubChem CID68653792
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name1-(2-methylsulfonyl-4-pyridinyl)ethanamine
SMILESCC(N)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C8H12N2O2S/c1-6(9)7-3-4-10-8(5-7)13(2,11)12/h3-6H,9H2,1-2H3
InChIKeyLWQSZEJKKNHTNA-UHFFFAOYSA-N
XLogP0.50
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonyl-4-pyridinyl)ethanamine?
The IUPAC name of 1-(2-methylsulfonyl-4-pyridinyl)ethanamine (CID 68653792) is 1-(2-methylsulfonyl-4-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2-methylsulfonyl-4-pyridinyl)ethanamine?
The canonical SMILES for 1-(2-methylsulfonyl-4-pyridinyl)ethanamine is CC(N)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(2-methylsulfonyl-4-pyridinyl)ethanamine?
The InChIKey is LWQSZEJKKNHTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6(9)7-3-4-10-8(5-7)13(2,11)12/h3-6H,9H2,1-2H3.
What are the key properties of 1-(2-methylsulfonyl-4-pyridinyl)ethanamine?
1-(2-methylsulfonyl-4-pyridinyl)ethanamine has a molecular weight of 200.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonyl-4-pyridinyl)ethanamine is sourced from PubChem (CID 68653792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).