6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide

C14H26N4O2S — CID 103340951

IUPAC6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCCN(CC)CCCNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C14H26N4O2S/c1-5-18(6-2)11-7-10-15-14-9-8-13(12-16-14)21(19,20)17(3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,15,16)
InChIKeyKEECDYOYLXUFLW-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.48
Rot. Bonds9

About 6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide

6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103340951) has the molecular formula C14H26N4O2S and a molecular weight of 314.45 g/mol. Its IUPAC name is 6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103340951
Molecular FormulaC14H26N4O2S
Molecular Weight314.45 g/mol
Exact Mass314.18
IUPAC Name6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCCN(CC)CCCNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C14H26N4O2S/c1-5-18(6-2)11-7-10-15-14-9-8-13(12-16-14)21(19,20)17(3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,15,16)
InChIKeyKEECDYOYLXUFLW-UHFFFAOYSA-N
XLogP1.48
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.48
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,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 106338159
N',N'-diethyl-N-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 28538897
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide
CID 104925729
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate
CID 103340848
N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide
CID 63726875
6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552
6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103748498
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561

Frequently Asked Questions

What is the IUPAC name of 6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide (CID 103340951) is 6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide is CCN(CC)CCCNc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is KEECDYOYLXUFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-18(6-2)11-7-10-15-14-9-8-13(12-16-14)21(19,20)17(3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,15,16).
What are the key properties of 6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide?
6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103340951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).