N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide

C14H26N4O2S+2 — CID 7044022

IUPACN,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)[nH+]c1
InChIInChI=1S/C14H24N4O2S/c1-4-18(5-2)21(19,20)13-6-7-14(15-12-13)17-10-8-16(3)9-11-17/h6-7,12H,4-5,8-11H2,1-3H3/p+2
InChIKeyJVMXSRLHWYBNFD-UHFFFAOYSA-P
MW314.46 g/mol
LogP-1.13
Rot. Bonds5

About N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide

N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide (PubChem CID 7044022) has the molecular formula C14H26N4O2S+2 and a molecular weight of 314.46 g/mol. Its IUPAC name is N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide
PubChem CID7044022
Molecular FormulaC14H26N4O2S+2
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)[nH+]c1
InChIInChI=1S/C14H24N4O2S/c1-4-18(5-2)21(19,20)13-6-7-14(15-12-13)17-10-8-16(3)9-11-17/h6-7,12H,4-5,8-11H2,1-3H3/p+2
InChIKeyJVMXSRLHWYBNFD-UHFFFAOYSA-P
XLogP-1.13
TPSA59.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(2-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide
CID 9281715
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide
CID 7873205
N,N-diethyl-6-(3-oxopiperazin-1-yl)pyridin-1-ium-3-sulfonamide
CID 9113716
N,N-diethyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide
CID 9186578
1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium
CID 2450884
6-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide
CID 2122276
N-ethyl-4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide
CID 7263424
N,N-diethyl-4-(4-ethylpiperazin-4-ium-1-yl)-3-nitrobenzenesulfonamide
CID 7761235
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
[4-(diethylsulfamoyl)phenyl]methylazanium
CID 7129046
N,N-diethyl-4-sulfanylbenzenesulfonamide
CID 15027344
[4-(diethylsulfamoyl)phenyl]azanium
CID 163754929

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide (CID 7044022) is N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)[nH+]c1.
What is the InChIKey of N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide?
The InChIKey is JVMXSRLHWYBNFD-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H24N4O2S/c1-4-18(5-2)21(19,20)13-6-7-14(15-12-13)17-10-8-16(3)9-11-17/h6-7,12H,4-5,8-11H2,1-3H3/p+2.
What are the key properties of N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide?
N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of -1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide is sourced from PubChem (CID 7044022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).