2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide

C9H16N4O2S — CID 106333992

IUPAC2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncc(N)cc1C
InChIInChI=1S/C9H16N4O2S/c1-7-5-8(10)6-13-9(7)12-3-4-16(14,15)11-2/h5-6,11H,3-4,10H2,1-2H3,(H,12,13)
InChIKeyUPMJPAFXZUNDCG-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.07
Rot. Bonds5

About 2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide

2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide (PubChem CID 106333992) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
PubChem CID106333992
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncc(N)cc1C
InChIInChI=1S/C9H16N4O2S/c1-7-5-8(10)6-13-9(7)12-3-4-16(14,15)11-2/h5-6,11H,3-4,10H2,1-2H3,(H,12,13)
InChIKeyUPMJPAFXZUNDCG-UHFFFAOYSA-N
XLogP-0.07
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
3-methyl-2-N-propylpyridine-2,5-diamine
CID 62478048
2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337617
3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine
CID 113326794
N-[4-[(5-amino-3-methyl-2-pyridinyl)amino]butyl]-2,2,2-trifluoroacetamide
CID 82331534
2-(3-amino-5-methylanilino)-N-methylethanesulfonamide
CID 106334106
ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106341952
5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106119806
2-[(3-amino-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334011
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide
CID 106341535
2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106337621

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide (CID 106333992) is 2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1ncc(N)cc1C.
What is the InChIKey of 2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide?
The InChIKey is UPMJPAFXZUNDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-7-5-8(10)6-13-9(7)12-3-4-16(14,15)11-2/h5-6,11H,3-4,10H2,1-2H3,(H,12,13).
What are the key properties of 2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide?
2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106333992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).