2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine

C10H20ClNO3S — CID 63396954

IUPAC2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine
SMILESCCOCCS(=O)(=O)N1CCCCC1CCl
InChIInChI=1S/C10H20ClNO3S/c1-2-15-7-8-16(13,14)12-6-4-3-5-10(12)9-11/h10H,2-9H2,1H3
InChIKeyZGRNKESMVQBNOO-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.45
Rot. Bonds6

About 2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine

2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine (PubChem CID 63396954) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine
PubChem CID63396954
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine
SMILESCCOCCS(=O)(=O)N1CCCCC1CCl
InChIInChI=1S/C10H20ClNO3S/c1-2-15-7-8-16(13,14)12-6-4-3-5-10(12)9-11/h10H,2-9H2,1H3
InChIKeyZGRNKESMVQBNOO-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine?
The IUPAC name of 2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine (CID 63396954) is 2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine?
The canonical SMILES for 2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine is CCOCCS(=O)(=O)N1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine?
The InChIKey is ZGRNKESMVQBNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-2-15-7-8-16(13,14)12-6-4-3-5-10(12)9-11/h10H,2-9H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine?
2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine has a molecular weight of 269.79 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine is sourced from PubChem (CID 63396954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).