N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide

C14H26N4O2S — CID 106048482

IUPACN,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
SMILESCC(C)N(C)CCCNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C14H26N4O2S/c1-12(2)18(5)10-6-9-15-14-8-7-13(11-16-14)21(19,20)17(3)4/h7-8,11-12H,6,9-10H2,1-5H3,(H,15,16)
InChIKeyCNRJEIYGQWZZQW-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.47
Rot. Bonds8

About N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide

N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide (PubChem CID 106048482) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
PubChem CID106048482
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
SMILESCC(C)N(C)CCCNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C14H26N4O2S/c1-12(2)18(5)10-6-9-15-14-8-7-13(11-16-14)21(19,20)17(3)4/h7-8,11-12H,6,9-10H2,1-5H3,(H,15,16)
InChIKeyCNRJEIYGQWZZQW-UHFFFAOYSA-N
XLogP1.47
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.47
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-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 103340951
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106048559
N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106048487
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 107389803
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 106338159
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate
CID 103340848
6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103853630

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide (CID 106048482) is N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide is CC(C)N(C)CCCNc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide?
The InChIKey is CNRJEIYGQWZZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-12(2)18(5)10-6-9-15-14-8-7-13(11-16-14)21(19,20)17(3)4/h7-8,11-12H,6,9-10H2,1-5H3,(H,15,16).
What are the key properties of N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide?
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.47, 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-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 106048482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).