6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide

C12H19N3O3S — CID 114613753

IUPAC6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(CN)nc2)CCOCC1
InChIInChI=1S/C12H19N3O3S/c1-12(4-6-18-7-5-12)15-19(16,17)11-3-2-10(8-13)14-9-11/h2-3,9,15H,4-8,13H2,1H3
InChIKeyYOEIUWJCTVUPPM-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.39
Rot. Bonds4

About 6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide

6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide (PubChem CID 114613753) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide
PubChem CID114613753
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(CN)nc2)CCOCC1
InChIInChI=1S/C12H19N3O3S/c1-12(4-6-18-7-5-12)15-19(16,17)11-3-2-10(8-13)14-9-11/h2-3,9,15H,4-8,13H2,1H3
InChIKeyYOEIUWJCTVUPPM-UHFFFAOYSA-N
XLogP0.39
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

4-N-(4-methyloxan-4-yl)benzene-1,4-disulfonamide
CID 115756410
5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614705
4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114958460
6-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 114613617
6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide
CID 115634619
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
CID 103355759
2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide
CID 113491040
1,4-dichloro-N-(4-methyloxan-4-yl)isoquinoline-7-sulfonamide
CID 59106408
6-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
CID 62158085
3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 107091667
6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide
CID 114613166
6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 114613735

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide (CID 114613753) is 6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide is CC1(NS(=O)(=O)c2ccc(CN)nc2)CCOCC1.
What is the InChIKey of 6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide?
The InChIKey is YOEIUWJCTVUPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(4-6-18-7-5-12)15-19(16,17)11-3-2-10(8-13)14-9-11/h2-3,9,15H,4-8,13H2,1H3.
What are the key properties of 6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide?
6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 114613753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).