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

C13H21N3O3S — CID 106594076

IUPAC2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C13H21N3O3S/c1-16(10-11-5-2-3-8-19-11)20(17,18)13-6-4-7-15-12(13)9-14/h4,6-7,11H,2-3,5,8-10,14H2,1H3
InChIKeyCUTGJJQEYBGHKD-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.73
Rot. Bonds5

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

2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 106594076) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID106594076
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C13H21N3O3S/c1-16(10-11-5-2-3-8-19-11)20(17,18)13-6-4-7-15-12(13)9-14/h4,6-7,11H,2-3,5,8-10,14H2,1H3
InChIKeyCUTGJJQEYBGHKD-UHFFFAOYSA-N
XLogP0.73
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 61436120
3-[methyl(oxan-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596790
2-hydrazinyl-N-methyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 61436014
2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 106594265
2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
CID 94195591
2-(aminomethyl)-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide
CID 106593986
N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305237
2-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 106594079
2-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 106594093
3-amino-5-bromo-N,2-dimethyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 114379300
methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
CID 102920398
4-(aminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 79190871

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide (CID 106594076) is 2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide is CN(CC1CCCCO1)S(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is CUTGJJQEYBGHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-16(10-11-5-2-3-8-19-11)20(17,18)13-6-4-7-15-12(13)9-14/h4,6-7,11H,2-3,5,8-10,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.73, 5 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-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106594076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).