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

C11H19N3O4S — CID 103305649

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(C)CC(O)COC
InChIInChI=1S/C11H19N3O4S/c1-12-10-5-4-6-13-11(10)19(16,17)14(2)7-9(15)8-18-3/h4-6,9,12,15H,7-8H2,1-3H3
InChIKeyUKPCKIXKVUEJQT-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.25
Rot. Bonds7

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

N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 103305649) 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-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
PubChem CID103305649
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(C)CC(O)COC
InChIInChI=1S/C11H19N3O4S/c1-12-10-5-4-6-13-11(10)19(16,17)14(2)7-9(15)8-18-3/h4-6,9,12,15H,7-8H2,1-3H3
InChIKeyUKPCKIXKVUEJQT-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-2-(methylamino)pyridine-3-sulfonamide
CID 62152806
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103304973
N-[3-(dimethylamino)propyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306050
N-methyl-3-(methylamino)-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
CID 103306504
N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103307540
3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide
CID 103305564
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide
CID 107485934
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306392
N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305595
N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305406
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
N-methyl-3-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103305698

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide (CID 103305649) is N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)N(C)CC(O)COC.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is UKPCKIXKVUEJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-12-10-5-4-6-13-11(10)19(16,17)14(2)7-9(15)8-18-3/h4-6,9,12,15H,7-8H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-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-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103305649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).