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

C11H19N3O2S2 — CID 114238260

IUPACN-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)N(C)CCCSC)ccn1
InChIInChI=1S/C11H19N3O2S2/c1-12-11-9-10(5-6-13-11)18(15,16)14(2)7-4-8-17-3/h5-6,9H,4,7-8H2,1-3H3,(H,12,13)
InChIKeyZLYLVSZJDFYCSI-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.50
Rot. Bonds7

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

N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide (PubChem CID 114238260) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide
PubChem CID114238260
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC NameN-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)N(C)CCCSC)ccn1
InChIInChI=1S/C11H19N3O2S2/c1-12-11-9-10(5-6-13-11)18(15,16)14(2)7-4-8-17-3/h5-6,9H,4,7-8H2,1-3H3,(H,12,13)
InChIKeyZLYLVSZJDFYCSI-UHFFFAOYSA-N
XLogP1.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62146541
N-(3-hydroxybutyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 113499863
N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
CID 115987134
N-ethyl-2-(methylamino)-N-propylpyridine-4-sulfonamide
CID 62144437
N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 114263597
N-methyl-2-(methylamino)-N-(4-methylphenyl)pyridine-4-sulfonamide
CID 62156970
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62146399
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)-3-nitrobenzenesulfonamide
CID 115573675
N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide
CID 62144804
N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62157049
N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide
CID 62144424

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide?
The IUPAC name of N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide (CID 114238260) is N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)N(C)CCCSC)ccn1.
What is the InChIKey of N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide?
The InChIKey is ZLYLVSZJDFYCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-12-11-9-10(5-6-13-11)18(15,16)14(2)7-4-8-17-3/h5-6,9H,4,7-8H2,1-3H3,(H,12,13).
What are the key properties of N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide?
N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide has a molecular weight of 289.43 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide is sourced from PubChem (CID 114238260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).