N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide

C7H16N2O2S2 — CID 129091804

IUPACN,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCN(S)CC1
InChIInChI=1S/C7H16N2O2S2/c1-8(2)13(10,11)7-3-5-9(12)6-4-7/h7,12H,3-6H2,1-2H3
InChIKeyZIZITLLFCUZCMH-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.19
Rot. Bonds2

About N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide

N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide (PubChem CID 129091804) has the molecular formula C7H16N2O2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide
PubChem CID129091804
Molecular FormulaC7H16N2O2S2
Molecular Weight224.35 g/mol
Exact Mass224.07
IUPAC NameN,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCN(S)CC1
InChIInChI=1S/C7H16N2O2S2/c1-8(2)13(10,11)7-3-5-9(12)6-4-7/h7,12H,3-6H2,1-2H3
InChIKeyZIZITLLFCUZCMH-UHFFFAOYSA-N
XLogP0.19
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

piperidinium, 1-methyl-1-(3-sulfopropyl)-, inner salt
CID 10130697
Butyl piperidino sulfone
CID 261674
2-(Piperidine-1-sulfonyl)ethan-1-amine
CID 208100
1-Propylsulfonylpiperidine
CID 303126
2-(Piperidine-1-sulfonyl)acetonitrile
CID 39733771
N-methyltetrahydro-1,2-thiazine S,S-dioxide
CID 12211945
1-Methanesulfonylpiperidine
CID 273952
1-Pentylsulfonylpiperidine
CID 303124
1-(Butane-1-sulfonyl)-2-methylpiperidine
CID 303059
(3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide
CID 164631684
1-(3-Fluoropropylsulfonyl)piperidine
CID 129349168
N,N-dimethylpiperidine-4-sulfonamide
CID 46779214

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide?
The IUPAC name of N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide (CID 129091804) is N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide is CN(C)S(=O)(=O)C1CCN(S)CC1.
What is the InChIKey of N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide?
The InChIKey is ZIZITLLFCUZCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S2/c1-8(2)13(10,11)7-3-5-9(12)6-4-7/h7,12H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide?
N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide has a molecular weight of 224.35 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide is sourced from PubChem (CID 129091804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).