3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine

C9H15N3O2S — CID 104533155

IUPAC3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
SMILESCNc1cncc(NCCS(C)(=O)=O)c1
InChIInChI=1S/C9H15N3O2S/c1-10-8-5-9(7-11-6-8)12-3-4-15(2,13)14/h5-7,10,12H,3-4H2,1-2H3
InChIKeyAFUTYCWPHMFGSO-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.58
Rot. Bonds5

About 3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine

3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine (PubChem CID 104533155) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
PubChem CID104533155
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
SMILESCNc1cncc(NCCS(C)(=O)=O)c1
InChIInChI=1S/C9H15N3O2S/c1-10-8-5-9(7-11-6-8)12-3-4-15(2,13)14/h5-7,10,12H,3-4H2,1-2H3
InChIKeyAFUTYCWPHMFGSO-UHFFFAOYSA-N
XLogP0.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide
CID 104532982
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine
CID 114112659
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
CID 104767059
2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate
CID 104535709
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984
5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine
CID 113424154
4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
CID 106138149
3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine
CID 104534914

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine (CID 104533155) is 3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine is CNc1cncc(NCCS(C)(=O)=O)c1.
What is the InChIKey of 3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine?
The InChIKey is AFUTYCWPHMFGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-10-8-5-9(7-11-6-8)12-3-4-15(2,13)14/h5-7,10,12H,3-4H2,1-2H3.
What are the key properties of 3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine?
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine has a molecular weight of 229.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine is sourced from PubChem (CID 104533155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).