N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide

C13H21N3O2S2 — CID 32772373

IUPACN,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=S)n(CN2CCCCC2)c1
InChIInChI=1S/C13H21N3O2S2/c1-14(2)20(17,18)12-6-7-13(19)16(10-12)11-15-8-4-3-5-9-15/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyOGBUIZQUDPDBAA-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.91
Rot. Bonds4

About N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide

N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide (PubChem CID 32772373) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide
PubChem CID32772373
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC NameN,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=S)n(CN2CCCCC2)c1
InChIInChI=1S/C13H21N3O2S2/c1-14(2)20(17,18)12-6-7-13(19)16(10-12)11-15-8-4-3-5-9-15/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyOGBUIZQUDPDBAA-UHFFFAOYSA-N
XLogP1.91
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-6-sulfanylidenepyridine-3-sulfonamide
CID 32775020
1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 7828944
methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate
CID 9236283
N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide
CID 9280616
N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 859979
N,N-dimethyl-1-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]-6-oxopyridine-3-sulfonamide
CID 95264638
1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethyl-6-sulfanylidenepyridine-3-sulfonamide
CID 32773339
2-[2-(azepan-1-yl)ethylsulfanyl]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 134064419
N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide
CID 94140377
ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate
CID 9193715
1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 24527575
4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168552

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide (CID 32772373) is N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(=S)n(CN2CCCCC2)c1.
What is the InChIKey of N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide?
The InChIKey is OGBUIZQUDPDBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-14(2)20(17,18)12-6-7-13(19)16(10-12)11-15-8-4-3-5-9-15/h6-7,10H,3-5,8-9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide?
N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide has a molecular weight of 315.46 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide is sourced from PubChem (CID 32772373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).