N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide

C13H21N3O3S — CID 62157823

IUPACN-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C13H21N3O3S/c1-3-16(10-11-5-4-8-19-11)20(17,18)12-6-7-15-13(9-12)14-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,14,15)
InChIKeyLNGVQTIPVNJXTK-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.31
Rot. Bonds6

About N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide

N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide (PubChem CID 62157823) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
PubChem CID62157823
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C13H21N3O3S/c1-3-16(10-11-5-4-8-19-11)20(17,18)12-6-7-15-13(9-12)14-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,14,15)
InChIKeyLNGVQTIPVNJXTK-UHFFFAOYSA-N
XLogP1.31
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 55043942
N-ethyl-2-(methylamino)-N-propylpyridine-4-sulfonamide
CID 62144437
N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 61435584
N-(cyclobutylmethyl)-N-ethyl-2-hydrazinylpyridine-4-sulfonamide
CID 107399527
3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 94198707
N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide
CID 62144424
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 61435899
6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 64602639
N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 131920000
N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide
CID 62144804
N,N-diethyl-2-(ethylamino)pyridine-4-sulfonamide
CID 62150008
4-N-[(4-chlorophenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189851

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide?
The IUPAC name of N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide (CID 62157823) is N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide.
What is the SMILES notation for N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide?
The canonical SMILES for N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide is CCN(CC1CCCO1)S(=O)(=O)c1ccnc(NC)c1.
What is the InChIKey of N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide?
The InChIKey is LNGVQTIPVNJXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-16(10-11-5-4-8-19-11)20(17,18)12-6-7-15-13(9-12)14-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide?
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 62157823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).