3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide

C11H23ClN2O3S — CID 81063896

IUPAC3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)N1CCCC(CCl)C1
InChIInChI=1S/C11H23ClN2O3S/c1-3-17-8-7-13(2)18(15,16)14-6-4-5-11(9-12)10-14/h11H,3-10H2,1-2H3
InChIKeySABXYFKAMBTJOA-UHFFFAOYSA-N
MW298.84 g/mol
LogP1.15
Rot. Bonds7

About 3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide

3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide (PubChem CID 81063896) has the molecular formula C11H23ClN2O3S and a molecular weight of 298.84 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
PubChem CID81063896
Molecular FormulaC11H23ClN2O3S
Molecular Weight298.84 g/mol
Exact Mass298.11
IUPAC Name3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)N1CCCC(CCl)C1
InChIInChI=1S/C11H23ClN2O3S/c1-3-17-8-7-13(2)18(15,16)14-6-4-5-11(9-12)10-14/h11H,3-10H2,1-2H3
InChIKeySABXYFKAMBTJOA-UHFFFAOYSA-N
XLogP1.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 81064046
3-(chloromethyl)-N-ethyl-N-(2-methylbutyl)piperidine-1-sulfonamide
CID 79470564
N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 54951889
3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119959504
N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide
CID 63396691
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 81063874
4-ethoxy-N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105167017
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920
1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 63246538
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 79312053

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide?
The IUPAC name of 3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide (CID 81063896) is 3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for 3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide is CCOCCN(C)S(=O)(=O)N1CCCC(CCl)C1.
What is the InChIKey of 3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide?
The InChIKey is SABXYFKAMBTJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O3S/c1-3-17-8-7-13(2)18(15,16)14-6-4-5-11(9-12)10-14/h11H,3-10H2,1-2H3.
What are the key properties of 3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide?
3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide has a molecular weight of 298.84 g/mol, XLogP of 1.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 81063896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).