2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide

C11H19N3O3S — CID 107197602

IUPAC2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C11H19N3O3S/c1-14(8-3-2-4-9-15)18(16,17)10-6-5-7-13-11(10)12/h5-7,15H,2-4,8-9H2,1H3,(H2,12,13)
InChIKeyXBGARIQDEUXURE-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.45
Rot. Bonds7

About 2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide

2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide (PubChem CID 107197602) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
PubChem CID107197602
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C11H19N3O3S/c1-14(8-3-2-4-9-15)18(16,17)10-6-5-7-13-11(10)12/h5-7,15H,2-4,8-9H2,1H3,(H2,12,13)
InChIKeyXBGARIQDEUXURE-UHFFFAOYSA-N
XLogP0.45
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide
CID 114242959
3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114230219
3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197542
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide
CID 79381363
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62146162
2-[(2-amino-3-pyridinyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 65427602
N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
CID 107202982
2-(aminomethyl)-3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107198959
2-amino-N,N-diethylpyridine-3-sulfonamide
CID 62150875
2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197608
2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230052
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide (CID 107197602) is 2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide is CN(CCCCCO)S(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is XBGARIQDEUXURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-14(8-3-2-4-9-15)18(16,17)10-6-5-7-13-11(10)12/h5-7,15H,2-4,8-9H2,1H3,(H2,12,13).
What are the key properties of 2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide?
2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 107197602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).