6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide

C13H23N3O3S — CID 103748498

IUPAC6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCCC(CCO)CNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H23N3O3S/c1-4-11(7-8-17)9-14-13-6-5-12(10-15-13)20(18,19)16(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3,(H,14,15)
InChIKeySITOXOWNIIYAKP-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.15
Rot. Bonds8

About 6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide

6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103748498) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103748498
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCCC(CCO)CNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H23N3O3S/c1-4-11(7-8-17)9-14-13-6-5-12(10-15-13)20(18,19)16(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3,(H,14,15)
InChIKeySITOXOWNIIYAKP-UHFFFAOYSA-N
XLogP1.15
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340904
6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 107389803
6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 107159183
4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82902467
6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 103340951
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide
CID 104925729
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113227585
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide (CID 103748498) is 6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide is CCC(CCO)CNc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is SITOXOWNIIYAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-4-11(7-8-17)9-14-13-6-5-12(10-15-13)20(18,19)16(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3,(H,14,15).
What are the key properties of 6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103748498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).