6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide

C11H19N3O4S — CID 107389803

IUPAC6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
SMILESCOC(CNc1ccc(S(=O)(=O)N(C)C)cn1)OC
InChIInChI=1S/C11H19N3O4S/c1-14(2)19(15,16)9-5-6-10(12-7-9)13-8-11(17-3)18-4/h5-7,11H,8H2,1-4H3,(H,12,13)
InChIKeyNBHLGLMFAOEHHL-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.36
Rot. Bonds7

About 6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide

6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 107389803) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID107389803
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
SMILESCOC(CNc1ccc(S(=O)(=O)N(C)C)cn1)OC
InChIInChI=1S/C11H19N3O4S/c1-14(2)19(15,16)9-5-6-10(12-7-9)13-8-11(17-3)18-4/h5-7,11H,8H2,1-4H3,(H,12,13)
InChIKeyNBHLGLMFAOEHHL-UHFFFAOYSA-N
XLogP0.36
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 107159183
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103748498
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340904
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113227585
6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103853630

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide (CID 107389803) is 6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide is COC(CNc1ccc(S(=O)(=O)N(C)C)cn1)OC.
What is the InChIKey of 6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is NBHLGLMFAOEHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-14(2)19(15,16)9-5-6-10(12-7-9)13-8-11(17-3)18-4/h5-7,11H,8H2,1-4H3,(H,12,13).
What are the key properties of 6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide?
6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 107389803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).