N-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide

C13H23N3O3S — CID 79386192

IUPACN-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)N(CC)CC(C)(C)O
InChIInChI=1S/C13H23N3O3S/c1-5-14-12-11(8-7-9-15-12)20(18,19)16(6-2)10-13(3,4)17/h7-9,17H,5-6,10H2,1-4H3,(H,14,15)
InChIKeyGCFOTPZWFJCQOB-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.29
Rot. Bonds7

About N-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide

N-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide (PubChem CID 79386192) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
PubChem CID79386192
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)N(CC)CC(C)(C)O
InChIInChI=1S/C13H23N3O3S/c1-5-14-12-11(8-7-9-15-12)20(18,19)16(6-2)10-13(3,4)17/h7-9,17H,5-6,10H2,1-4H3,(H,14,15)
InChIKeyGCFOTPZWFJCQOB-UHFFFAOYSA-N
XLogP1.29
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide 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-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide (CID 79386192) is N-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide is CCNc1ncccc1S(=O)(=O)N(CC)CC(C)(C)O.
What is the InChIKey of N-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide?
The InChIKey is GCFOTPZWFJCQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-5-14-12-11(8-7-9-15-12)20(18,19)16(6-2)10-13(3,4)17/h7-9,17H,5-6,10H2,1-4H3,(H,14,15).
What are the key properties of N-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide?
N-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 79386192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).