2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine

C15H18N2O2S — CID 82359914

IUPAC2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine
SMILESCc1ccc(S(=O)(=O)CC(N)c2ccccn2)cc1C
InChIInChI=1S/C15H18N2O2S/c1-11-6-7-13(9-12(11)2)20(18,19)10-14(16)15-5-3-4-8-17-15/h3-9,14H,10,16H2,1-2H3
InChIKeyFPOAPJKAIGLYFM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.17
Rot. Bonds4

About 2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine

2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine (PubChem CID 82359914) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine
PubChem CID82359914
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine
SMILESCc1ccc(S(=O)(=O)CC(N)c2ccccn2)cc1C
InChIInChI=1S/C15H18N2O2S/c1-11-6-7-13(9-12(11)2)20(18,19)10-14(16)15-5-3-4-8-17-15/h3-9,14H,10,16H2,1-2H3
InChIKeyFPOAPJKAIGLYFM-UHFFFAOYSA-N
XLogP2.17
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine (CID 82359914) is 2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine is Cc1ccc(S(=O)(=O)CC(N)c2ccccn2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine?
The InChIKey is FPOAPJKAIGLYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-6-7-13(9-12(11)2)20(18,19)10-14(16)15-5-3-4-8-17-15/h3-9,14H,10,16H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine?
2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine has a molecular weight of 290.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine is sourced from PubChem (CID 82359914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).