2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide

C8H14N4O2S — CID 81132077

IUPAC2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide
SMILESCc1ccc(N)c(NCCS(N)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-6-2-3-7(9)8(12-6)11-4-5-15(10,13)14/h2-3H,4-5,9H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyANTYPVOHKYEEHP-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.33
Rot. Bonds4

About 2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide

2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide (PubChem CID 81132077) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide
PubChem CID81132077
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide
SMILESCc1ccc(N)c(NCCS(N)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-6-2-3-7(9)8(12-6)11-4-5-15(10,13)14/h2-3H,4-5,9H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyANTYPVOHKYEEHP-UHFFFAOYSA-N
XLogP-0.33
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide?
The IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide (CID 81132077) is 2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide is Cc1ccc(N)c(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide?
The InChIKey is ANTYPVOHKYEEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-6-2-3-7(9)8(12-6)11-4-5-15(10,13)14/h2-3H,4-5,9H2,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide?
2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide is sourced from PubChem (CID 81132077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).