2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide

C12H19N3O3S — CID 106593986

IUPAC2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C12H19N3O3S/c1-15(10-4-7-18-8-5-10)19(16,17)12-3-2-6-14-11(12)9-13/h2-3,6,10H,4-5,7-9,13H2,1H3
InChIKeyPAKJKLMVPLZVFY-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.34
Rot. Bonds4

About 2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide

2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide (PubChem CID 106593986) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide
PubChem CID106593986
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C12H19N3O3S/c1-15(10-4-7-18-8-5-10)19(16,17)12-3-2-6-14-11(12)9-13/h2-3,6,10H,4-5,7-9,13H2,1H3
InChIKeyPAKJKLMVPLZVFY-UHFFFAOYSA-N
XLogP0.34
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 106594079
2-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 106594093
2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 106594076
2-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 106594895
N-methyl-2-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 82744290
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 106594462
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide
CID 106594703
[3-(oxan-4-ylsulfonylmethyl)-2-pyridinyl]methanamine
CID 64698078
2-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 106594065
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597902

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide (CID 106593986) is 2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide is CN(C1CCOCC1)S(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide?
The InChIKey is PAKJKLMVPLZVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-15(10-4-7-18-8-5-10)19(16,17)12-3-2-6-14-11(12)9-13/h2-3,6,10H,4-5,7-9,13H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 106593986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).