N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide

C11H19N3O3S — CID 113499863

IUPACN-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)N(C)CCC(C)O)ccn1
InChIInChI=1S/C11H19N3O3S/c1-9(15)5-7-14(3)18(16,17)10-4-6-13-11(8-10)12-2/h4,6,8-9,15H,5,7H2,1-3H3,(H,12,13)
InChIKeyNQZARVRBHNZIAJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.51
Rot. Bonds6

About N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide

N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 113499863) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
PubChem CID113499863
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)N(C)CCC(C)O)ccn1
InChIInChI=1S/C11H19N3O3S/c1-9(15)5-7-14(3)18(16,17)10-4-6-13-11(8-10)12-2/h4,6,8-9,15H,5,7H2,1-3H3,(H,12,13)
InChIKeyNQZARVRBHNZIAJ-UHFFFAOYSA-N
XLogP0.51
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62146541
N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide
CID 114238260
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62146399
N-(3-hydroxybutyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 115741211
2-hydrazinyl-N-methyl-N-(2-methylpropyl)pyridine-4-sulfonamide
CID 61003232
N-(3-hydroxybutyl)-4-iodo-N-methylbenzenesulfonamide
CID 113320165
N-methyl-2-(methylamino)-N-(4-methylphenyl)pyridine-4-sulfonamide
CID 62156970
3-amino-5-fluoro-N-(3-hydroxybutyl)-N,4-dimethylbenzenesulfonamide
CID 116792317
6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
CID 113320170
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62152785
5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide
CID 164640112

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide (CID 113499863) is N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)N(C)CCC(C)O)ccn1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is NQZARVRBHNZIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9(15)5-7-14(3)18(16,17)10-4-6-13-11(8-10)12-2/h4,6,8-9,15H,5,7H2,1-3H3,(H,12,13).
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide?
N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 113499863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).