N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide

C8H15N5O2S — CID 79826427

IUPACN-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ccc(N)c(N)n1
InChIInChI=1S/C8H15N5O2S/c1-16(14,15)12-5-4-11-7-3-2-6(9)8(10)13-7/h2-3,12H,4-5,9H2,1H3,(H3,10,11,13)
InChIKeyWAPNEUCIMYCSDZ-UHFFFAOYSA-N
MW245.31 g/mol
LogP-0.79
Rot. Bonds5

About N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide

N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide (PubChem CID 79826427) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide
PubChem CID79826427
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC NameN-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ccc(N)c(N)n1
InChIInChI=1S/C8H15N5O2S/c1-16(14,15)12-5-4-11-7-3-2-6(9)8(10)13-7/h2-3,12H,4-5,9H2,1H3,(H3,10,11,13)
InChIKeyWAPNEUCIMYCSDZ-UHFFFAOYSA-N
XLogP-0.79
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[6-(Ethylamino)-3-pyridinyl]guanidine;hydrochloride
CID 118730395
N2-ethylpyridine-2,5-diamine
CID 104060
N2,N2,6-trimethylpyridine-2,5-diamine
CID 20748032
N~2~-(Propan-2-yl)pyridine-2,3-diamine
CID 21818971
2,6-Diamino-N2-(2-aminoethyl)-5-nitropyridine
CID 22142380
6-(4-Methanesulfonylpiperazin-1-yl)pyridin-3-amine
CID 24253240
2-Methyl-6-(4-methylpiperazin-1-yl)pyridin-3-amine
CID 71683735
N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine
CID 11094986
2-(Diethylamino)-5-(dimethylsulfamoylamino)pyridine
CID 24295549
N-[5-(1H-imidazol-1-yl)pyridin-2-yl]methanesulfonamide
CID 50963818
N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide
CID 56795211
2-[2-[[Cyclopentyl(methyl)sulfamoyl]amino]ethylamino]pyridine
CID 71847500

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide (CID 79826427) is N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1ccc(N)c(N)n1.
What is the InChIKey of N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide?
The InChIKey is WAPNEUCIMYCSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c1-16(14,15)12-5-4-11-7-3-2-6(9)8(10)13-7/h2-3,12H,4-5,9H2,1H3,(H3,10,11,13).
What are the key properties of N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide?
N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide has a molecular weight of 245.31 g/mol, XLogP of -0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 79826427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).