3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine

C11H19N3O2S — CID 114112659

IUPAC3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NCCS(=O)(=O)CC)c1
InChIInChI=1S/C11H19N3O2S/c1-3-13-10-7-11(9-12-8-10)14-5-6-17(15,16)4-2/h7-9,13-14H,3-6H2,1-2H3
InChIKeySOTQXLNULGDKET-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.36
Rot. Bonds7

About 3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine

3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine (PubChem CID 114112659) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine
PubChem CID114112659
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NCCS(=O)(=O)CC)c1
InChIInChI=1S/C11H19N3O2S/c1-3-13-10-7-11(9-12-8-10)14-5-6-17(15,16)4-2/h7-9,13-14H,3-6H2,1-2H3
InChIKeySOTQXLNULGDKET-UHFFFAOYSA-N
XLogP1.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine
CID 104534461
3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 104535691
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine
CID 113423980
3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine
CID 104533940
5-N-ethylpyridine-3,5-diamine
CID 104532571
2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide
CID 104532985
3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine
CID 104533858
N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide
CID 104532982

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine (CID 114112659) is 3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine is CCNc1cncc(NCCS(=O)(=O)CC)c1.
What is the InChIKey of 3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine?
The InChIKey is SOTQXLNULGDKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-13-10-7-11(9-12-8-10)14-5-6-17(15,16)4-2/h7-9,13-14H,3-6H2,1-2H3.
What are the key properties of 3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine?
3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine has a molecular weight of 257.36 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine is sourced from PubChem (CID 114112659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).