N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide

C11H19N3O4S — CID 62152806

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)N(C)CC(O)COC
InChIInChI=1S/C11H19N3O4S/c1-12-11-10(5-4-6-13-11)19(16,17)14(2)7-9(15)8-18-3/h4-6,9,15H,7-8H2,1-3H3,(H,12,13)
InChIKeyMSXTUENAPBFCIE-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.25
Rot. Bonds7

About N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide

N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62152806) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62152806
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)N(C)CC(O)COC
InChIInChI=1S/C11H19N3O4S/c1-12-11-10(5-4-6-13-11)19(16,17)14(2)7-9(15)8-18-3/h4-6,9,15H,7-8H2,1-3H3,(H,12,13)
InChIKeyMSXTUENAPBFCIE-UHFFFAOYSA-N
XLogP-0.25
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305649
N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62162650
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62147367
2-(methylamino)pyridine-3-sulfonic acid
CID 15595252
2,4-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54999282
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 64518142
N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 112664021
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62159075
2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153874
5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 65020928
N-methyl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
CID 62144977

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide (CID 62152806) is N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)N(C)CC(O)COC.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is MSXTUENAPBFCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-12-11-10(5-4-6-13-11)19(16,17)14(2)7-9(15)8-18-3/h4-6,9,15H,7-8H2,1-3H3,(H,12,13).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62152806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).