N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide

C8H14N4O2S — CID 43545947

IUPACN-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ncccc1N
InChIInChI=1S/C8H14N4O2S/c1-15(13,14)12-6-5-11-8-7(9)3-2-4-10-8/h2-4,12H,5-6,9H2,1H3,(H,10,11)
InChIKeyFFEAJUPAVOGEHE-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.38
Rot. Bonds5

About N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide

N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide (PubChem CID 43545947) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide
PubChem CID43545947
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ncccc1N
InChIInChI=1S/C8H14N4O2S/c1-15(13,14)12-6-5-11-8-7(9)3-2-4-10-8/h2-4,12H,5-6,9H2,1H3,(H,10,11)
InChIKeyFFEAJUPAVOGEHE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61373352
2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid
CID 43420764
2-[(3-amino-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334011
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61228086
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908
2-N-[2-(diethylamino)ethyl]pyridine-2,3-diamine
CID 28818395
N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62168878
2-[(3-amino-2-pyridinyl)amino]acetamide
CID 14390487
N-[2-[(7-hydroxyisoquinolin-1-yl)amino]ethyl]methanesulfonamide
CID 106537595
N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 107056968
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide (CID 43545947) is N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1ncccc1N.
What is the InChIKey of N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide?
The InChIKey is FFEAJUPAVOGEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-15(13,14)12-6-5-11-8-7(9)3-2-4-10-8/h2-4,12H,5-6,9H2,1H3,(H,10,11).
What are the key properties of N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide?
N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide 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 N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 43545947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).