2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide

C12H19N3O3S — CID 106594265

IUPAC2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
SMILESNCc1ncccc1S(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C12H19N3O3S/c13-8-11-12(5-3-6-14-11)19(16,17)15-9-10-4-1-2-7-18-10/h3,5-6,10,15H,1-2,4,7-9,13H2
InChIKeyGOTUKUIMQVBPNI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.39
Rot. Bonds5

About 2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide

2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 106594265) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID106594265
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
SMILESNCc1ncccc1S(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C12H19N3O3S/c13-8-11-12(5-3-6-14-11)19(16,17)15-9-10-4-1-2-7-18-10/h3,5-6,10,15H,1-2,4,7-9,13H2
InChIKeyGOTUKUIMQVBPNI-UHFFFAOYSA-N
XLogP0.39
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 43456566
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 106594076
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 106594462
2-(aminomethyl)-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-sulfonamide
CID 106594718
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474
3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 55014323
N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 94183015

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide (CID 106594265) is 2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide is NCc1ncccc1S(=O)(=O)NCC1CCCCO1.
What is the InChIKey of 2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is GOTUKUIMQVBPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c13-8-11-12(5-3-6-14-11)19(16,17)15-9-10-4-1-2-7-18-10/h3,5-6,10,15H,1-2,4,7-9,13H2.
What are the key properties of 2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106594265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).