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

C8H14N4O2S — CID 106334140

IUPAC2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cccnc1N
InChIInChI=1S/C8H14N4O2S/c1-10-15(13,14)6-5-11-7-3-2-4-12-8(7)9/h2-4,10-11H,5-6H2,1H3,(H2,9,12)
InChIKeySJHZHPWHGXICOC-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.38
Rot. Bonds5

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

2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide (PubChem CID 106334140) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide
PubChem CID106334140
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cccnc1N
InChIInChI=1S/C8H14N4O2S/c1-10-15(13,14)6-5-11-7-3-2-4-12-8(7)9/h2-4,10-11H,5-6H2,1H3,(H2,9,12)
InChIKeySJHZHPWHGXICOC-UHFFFAOYSA-N
XLogP-0.38
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
CID 104540004
2-[(3-amino-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334011
3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide
CID 106339198
2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337732
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 91315804
2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 102675423
3-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 104540631
3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine
CID 104758771
3-[(2-amino-3-pyridinyl)amino]-N,N-dimethylpropanamide
CID 104540220
ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106337804
2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide
CID 106334008

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide (CID 106334140) is 2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1cccnc1N.
What is the InChIKey of 2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide?
The InChIKey is SJHZHPWHGXICOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-10-15(13,14)6-5-11-7-3-2-4-12-8(7)9/h2-4,10-11H,5-6H2,1H3,(H2,9,12).
What are the key properties of 2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide?
2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106334140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).