2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide

C7H12N4O2S — CID 104532985

IUPAC2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide
SMILESNc1cncc(NCCS(N)(=O)=O)c1
InChIInChI=1S/C7H12N4O2S/c8-6-3-7(5-10-4-6)11-1-2-14(9,12)13/h3-5,11H,1-2,8H2,(H2,9,12,13)
InChIKeyJKCNYIMUTOVWNY-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.64
Rot. Bonds4

About 2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide

2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide (PubChem CID 104532985) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide
PubChem CID104532985
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide
SMILESNc1cncc(NCCS(N)(=O)=O)c1
InChIInChI=1S/C7H12N4O2S/c8-6-3-7(5-10-4-6)11-1-2-14(9,12)13/h3-5,11H,1-2,8H2,(H2,9,12,13)
InChIKeyJKCNYIMUTOVWNY-UHFFFAOYSA-N
XLogP-0.64
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide?
The IUPAC name of 2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide (CID 104532985) is 2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide is Nc1cncc(NCCS(N)(=O)=O)c1.
What is the InChIKey of 2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide?
The InChIKey is JKCNYIMUTOVWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c8-6-3-7(5-10-4-6)11-1-2-14(9,12)13/h3-5,11H,1-2,8H2,(H2,9,12,13).
What are the key properties of 2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide?
2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide has a molecular weight of 216.27 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide is sourced from PubChem (CID 104532985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).