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

C11H18N2O3S — CID 107202982

IUPACN-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H18N2O3S/c1-13(8-3-2-4-9-14)17(15,16)11-6-5-7-12-10-11/h5-7,10,14H,2-4,8-9H2,1H3
InChIKeyYOHWBHIYZVMOKU-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.86
Rot. Bonds7

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

N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide (PubChem CID 107202982) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
PubChem CID107202982
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H18N2O3S/c1-13(8-3-2-4-9-14)17(15,16)11-6-5-7-12-10-11/h5-7,10,14H,2-4,8-9H2,1H3
InChIKeyYOHWBHIYZVMOKU-UHFFFAOYSA-N
XLogP0.86
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
CID 107197602
3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103924550
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107483729
3-[5-hydroxypentyl(methyl)sulfamoyl]benzoic acid
CID 104651414
N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
3-[5-hydroxypentyl(methyl)sulfamoyl]benzenecarbothioamide
CID 107199759
4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103731031
4-[5-hydroxypentyl(methyl)sulfamoyl]benzenecarbothioamide
CID 107199767
4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107200603
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]benzoate
CID 107203072
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609
4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 115163161

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide (CID 107202982) is N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide is CN(CCCCCO)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is YOHWBHIYZVMOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-13(8-3-2-4-9-14)17(15,16)11-6-5-7-12-10-11/h5-7,10,14H,2-4,8-9H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide?
N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 107202982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).