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

C9H15N3O2S — CID 79849997

IUPAC2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
SMILESCN(CCS(C)(=O)=O)c1ncccc1N
InChIInChI=1S/C9H15N3O2S/c1-12(6-7-15(2,13)14)9-8(10)4-3-5-11-9/h3-5H,6-7,10H2,1-2H3
InChIKeyCGPZEPUNTWFXER-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.14
Rot. Bonds4

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

2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine (PubChem CID 79849997) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
PubChem CID79849997
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
SMILESCN(CCS(C)(=O)=O)c1ncccc1N
InChIInChI=1S/C9H15N3O2S/c1-12(6-7-15(2,13)14)9-8(10)4-3-5-11-9/h3-5H,6-7,10H2,1-2H3
InChIKeyCGPZEPUNTWFXER-UHFFFAOYSA-N
XLogP0.14
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79864976
N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 79858850
3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine
CID 103078693
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,3-diamine
CID 61414258
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide
CID 106594703
6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79864794
N-methyl-3-(methylamino)-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
CID 103306504
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 105390125
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one
CID 155778321
1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one
CID 116613725
2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol
CID 104551058

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine (CID 79849997) is 2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine is CN(CCS(C)(=O)=O)c1ncccc1N.
What is the InChIKey of 2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine?
The InChIKey is CGPZEPUNTWFXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-12(6-7-15(2,13)14)9-8(10)4-3-5-11-9/h3-5H,6-7,10H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine?
2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine has a molecular weight of 229.31 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine is sourced from PubChem (CID 79849997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).