N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide

C12H21N3O3S — CID 103341282

IUPACN,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide
SMILESCCCNCCOc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H21N3O3S/c1-4-7-13-8-9-18-12-6-5-11(10-14-12)19(16,17)15(2)3/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyUQGHZAOCCQZVCM-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.71
Rot. Bonds8

About N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide

N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide (PubChem CID 103341282) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide
PubChem CID103341282
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide
SMILESCCCNCCOc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H21N3O3S/c1-4-7-13-8-9-18-12-6-5-11(10-14-12)19(16,17)15(2)3/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyUQGHZAOCCQZVCM-UHFFFAOYSA-N
XLogP0.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.71
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

6-[2-(propylamino)ethoxy]pyridin-3-amine
CID 69235236
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid
CID 103341256
6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide
CID 75452721
N-[2-(4-methylsulfonylphenoxy)ethyl]propan-1-amine
CID 43807211
N-(2-pyridin-2-yloxyethyl)propan-1-amine
CID 62348524
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide
CID 84599468
6-(2-propoxyethoxy)pyridine-3-sulfonamide
CID 112572750
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 106338159
6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341340
3-chloro-N,N-dimethyl-4-(propylaminomethyl)benzenesulfonamide
CID 107091188
6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide (CID 103341282) is N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide is CCCNCCOc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide?
The InChIKey is UQGHZAOCCQZVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-4-7-13-8-9-18-12-6-5-11(10-14-12)19(16,17)15(2)3/h5-6,10,13H,4,7-9H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide?
N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 103341282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).