5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide

C13H22N2O3S2 — CID 106000682

IUPAC5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide
SMILESCSCCCCCCNS(=O)(=O)c1ccc(CO)cn1
InChIInChI=1S/C13H22N2O3S2/c1-19-9-5-3-2-4-8-15-20(17,18)13-7-6-12(11-16)10-14-13/h6-7,10,15-16H,2-5,8-9,11H2,1H3
InChIKeyLVBNMVYSTJFDIJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.78
Rot. Bonds10

About 5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide

5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide (PubChem CID 106000682) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide
PubChem CID106000682
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide
SMILESCSCCCCCCNS(=O)(=O)c1ccc(CO)cn1
InChIInChI=1S/C13H22N2O3S2/c1-19-9-5-3-2-4-8-15-20(17,18)13-7-6-12(11-16)10-14-13/h6-7,10,15-16H,2-5,8-9,11H2,1H3
InChIKeyLVBNMVYSTJFDIJ-UHFFFAOYSA-N
XLogP1.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.78
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

5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
CID 106066192
6-(4-methylsulfanylbutylsulfamoyl)pyridine-3-carboxylic acid
CID 113487300
5-(hydroxymethyl)-2-methyl-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106002448
N-(2-ethoxyethyl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 114132074
N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106014046
5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide
CID 106092686
2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106002506
N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
CID 113414965
5-(aminomethyl)-2-fluoro-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106093679
[4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol
CID 114125587
3-hydroxy-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 114128483
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106377947

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide (CID 106000682) is 5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide is CSCCCCCCNS(=O)(=O)c1ccc(CO)cn1.
What is the InChIKey of 5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide?
The InChIKey is LVBNMVYSTJFDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-19-9-5-3-2-4-8-15-20(17,18)13-7-6-12(11-16)10-14-13/h6-7,10,15-16H,2-5,8-9,11H2,1H3.
What are the key properties of 5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide?
5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106000682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).