N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide

C13H23N3O3S — CID 106086804

IUPACN-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1ccc(CNC)cn1
InChIInChI=1S/C13H23N3O3S/c1-5-19-13(2,3)10-16-20(17,18)12-7-6-11(8-14-4)9-15-12/h6-7,9,14,16H,5,8,10H2,1-4H3
InChIKeyXCMWGJVXYJPDNH-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.89
Rot. Bonds8

About N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide

N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide (PubChem CID 106086804) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
PubChem CID106086804
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1ccc(CNC)cn1
InChIInChI=1S/C13H23N3O3S/c1-5-19-13(2,3)10-16-20(17,18)12-7-6-11(8-14-4)9-15-12/h6-7,9,14,16H,5,8,10H2,1-4H3
InChIKeyXCMWGJVXYJPDNH-UHFFFAOYSA-N
XLogP0.89
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethylbutyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085622
N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106079204
N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide
CID 115522827
N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106086739
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106050829
N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106069732
5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
CID 106018652
N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106086792
5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide
CID 106089544
N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide (CID 106086804) is N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide is CCOC(C)(C)CNS(=O)(=O)c1ccc(CNC)cn1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The InChIKey is XCMWGJVXYJPDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-5-19-13(2,3)10-16-20(17,18)12-7-6-11(8-14-4)9-15-12/h6-7,9,14,16H,5,8,10H2,1-4H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106086804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).