2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine

C14H17N3O2S — CID 80762611

IUPAC2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine
SMILESCCNc1cccc(Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H17N3O2S/c1-3-15-13-5-4-6-14(17-13)16-11-7-9-12(10-8-11)20(2,18)19/h4-10H,3H2,1-2H3,(H2,15,16,17)
InChIKeyDEOKRSGOJHXRQO-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.66
Rot. Bonds5

About 2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine

2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine (PubChem CID 80762611) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine
PubChem CID80762611
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine
SMILESCCNc1cccc(Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H17N3O2S/c1-3-15-13-5-4-6-14(17-13)16-11-7-9-12(10-8-11)20(2,18)19/h4-10H,3H2,1-2H3,(H2,15,16,17)
InChIKeyDEOKRSGOJHXRQO-UHFFFAOYSA-N
XLogP2.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine (CID 80762611) is 2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine is CCNc1cccc(Nc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine?
The InChIKey is DEOKRSGOJHXRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-15-13-5-4-6-14(17-13)16-11-7-9-12(10-8-11)20(2,18)19/h4-10H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine has a molecular weight of 291.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 80762611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).