N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide

C13H23N3O2S — CID 126704001

IUPACN-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide
SMILESCCCCc1cnc(NS(=O)(=O)CC)nc1C(C)C
InChIInChI=1S/C13H23N3O2S/c1-5-7-8-11-9-14-13(15-12(11)10(3)4)16-19(17,18)6-2/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyYBYGFEUVZOJVJI-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.70
Rot. Bonds7

About N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide

N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide (PubChem CID 126704001) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide
PubChem CID126704001
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide
SMILESCCCCc1cnc(NS(=O)(=O)CC)nc1C(C)C
InChIInChI=1S/C13H23N3O2S/c1-5-7-8-11-9-14-13(15-12(11)10(3)4)16-19(17,18)6-2/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyYBYGFEUVZOJVJI-UHFFFAOYSA-N
XLogP2.70
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)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 N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide?
The IUPAC name of N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide (CID 126704001) is N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide?
The canonical SMILES for N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide is CCCCc1cnc(NS(=O)(=O)CC)nc1C(C)C.
What is the InChIKey of N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide?
The InChIKey is YBYGFEUVZOJVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-7-8-11-9-14-13(15-12(11)10(3)4)16-19(17,18)6-2/h9-10H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide?
N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide is sourced from PubChem (CID 126704001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).