N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide

C11H20N4O3S — CID 106338349

IUPACN-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide
SMILESCCCOc1ccnc(NCCS(=O)(=O)NCC)n1
InChIInChI=1S/C11H20N4O3S/c1-3-8-18-10-5-6-12-11(15-10)13-7-9-19(16,17)14-4-2/h5-6,14H,3-4,7-9H2,1-2H3,(H,12,13,15)
InChIKeyYIDZJXIPGGTRHN-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.62
Rot. Bonds9

About N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide

N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide (PubChem CID 106338349) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide
PubChem CID106338349
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide
SMILESCCCOc1ccnc(NCCS(=O)(=O)NCC)n1
InChIInChI=1S/C11H20N4O3S/c1-3-8-18-10-5-6-12-11(15-10)13-7-9-19(16,17)14-4-2/h5-6,14H,3-4,7-9H2,1-2H3,(H,12,13,15)
InChIKeyYIDZJXIPGGTRHN-UHFFFAOYSA-N
XLogP0.62
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-[(4-propoxypyrimidin-2-yl)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

Related Compounds

N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 106343315
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334326
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065
1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol
CID 106248135
2-methyl-5-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 104683082
N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
CID 106191641
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382308
N-[2-(4-aminocyclohexyl)oxyethyl]-4-propoxypyrimidin-2-amine
CID 115975400
N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide
CID 103858115

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide (CID 106338349) is N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide is CCCOc1ccnc(NCCS(=O)(=O)NCC)n1.
What is the InChIKey of N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide?
The InChIKey is YIDZJXIPGGTRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-3-8-18-10-5-6-12-11(15-10)13-7-9-19(16,17)14-4-2/h5-6,14H,3-4,7-9H2,1-2H3,(H,12,13,15).
What are the key properties of N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide?
N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide is sourced from PubChem (CID 106338349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).