3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide

C10H20N2O4S — CID 114815332

IUPAC3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCCC(C(C)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-9(13)10-4-3-6-12(8-10)17(14,15)11-5-7-16-2/h10-11H,3-8H2,1-2H3
InChIKeyYNWWDSCTPGBKEY-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.23
Rot. Bonds6

About 3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide

3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide (PubChem CID 114815332) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide
PubChem CID114815332
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCCC(C(C)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-9(13)10-4-3-6-12(8-10)17(14,15)11-5-7-16-2/h10-11H,3-8H2,1-2H3
InChIKeyYNWWDSCTPGBKEY-UHFFFAOYSA-N
XLogP-0.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine-1-sulfonamide
CID 86989323
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-3-carboxylate
CID 43502024
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide (CID 114815332) is 3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide is COCCNS(=O)(=O)N1CCCC(C(C)=O)C1.
What is the InChIKey of 3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide?
The InChIKey is YNWWDSCTPGBKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-9(13)10-4-3-6-12(8-10)17(14,15)11-5-7-16-2/h10-11H,3-8H2,1-2H3.
What are the key properties of 3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide?
3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide has a molecular weight of 264.35 g/mol, XLogP of -0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114815332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).