3-formyl-N,N-dimethylpiperidine-1-sulfonamide

C8H16N2O3S — CID 63845899

IUPAC3-formyl-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(C=O)C1
InChIInChI=1S/C8H16N2O3S/c1-9(2)14(12,13)10-5-3-4-8(6-10)7-11/h7-8H,3-6H2,1-2H3
InChIKeySVWJNHSDCKBDRE-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.30
Rot. Bonds3

About 3-formyl-N,N-dimethylpiperidine-1-sulfonamide

3-formyl-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 63845899) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-formyl-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-formyl-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID63845899
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name3-formyl-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(C=O)C1
InChIInChI=1S/C8H16N2O3S/c1-9(2)14(12,13)10-5-3-4-8(6-10)7-11/h7-8H,3-6H2,1-2H3
InChIKeySVWJNHSDCKBDRE-UHFFFAOYSA-N
XLogP-0.30
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(methylsulfonylmethylsulfonyl)piperidine-3-carbaldehyde
CID 82842702
4-chloro-N,N-dimethylazepane-1-sulfonamide
CID 131107442
(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde
CID 55258735
methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate
CID 114467155
1-(4-methylphenyl)sulfonylpiperidine-3-carbaldehyde
CID 63846066
(3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 94015669
(3R)-1-(dimethylsulfamoyl)-N-methylpiperidine-3-carboxamide
CID 94012254
1-(benzenesulfonyl)piperidine-3-carbaldehyde
CID 63845737
(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
CID 92685694
(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide
CID 96579953
1-pyridin-4-ylsulfonylpiperidine-3-carbaldehyde
CID 175817763

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-formyl-N,N-dimethylpiperidine-1-sulfonamide (CID 63845899) is 3-formyl-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-formyl-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-formyl-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(C=O)C1.
What is the InChIKey of 3-formyl-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is SVWJNHSDCKBDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-9(2)14(12,13)10-5-3-4-8(6-10)7-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-formyl-N,N-dimethylpiperidine-1-sulfonamide?
3-formyl-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 63845899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).