4-chloro-1-(2-ethoxyethylsulfonyl)piperidine

C9H18ClNO3S — CID 63396672

IUPAC4-chloro-1-(2-ethoxyethylsulfonyl)piperidine
SMILESCCOCCS(=O)(=O)N1CCC(Cl)CC1
InChIInChI=1S/C9H18ClNO3S/c1-2-14-7-8-15(12,13)11-5-3-9(10)4-6-11/h9H,2-8H2,1H3
InChIKeyZIERSUVRPVZVKU-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.06
Rot. Bonds5

About 4-chloro-1-(2-ethoxyethylsulfonyl)piperidine

4-chloro-1-(2-ethoxyethylsulfonyl)piperidine (PubChem CID 63396672) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 4-chloro-1-(2-ethoxyethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-chloro-1-(2-ethoxyethylsulfonyl)piperidine
PubChem CID63396672
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name4-chloro-1-(2-ethoxyethylsulfonyl)piperidine
SMILESCCOCCS(=O)(=O)N1CCC(Cl)CC1
InChIInChI=1S/C9H18ClNO3S/c1-2-14-7-8-15(12,13)11-5-3-9(10)4-6-11/h9H,2-8H2,1H3
InChIKeyZIERSUVRPVZVKU-UHFFFAOYSA-N
XLogP1.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 51.06
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 4-chloro-1-(2-ethoxyethylsulfonyl)piperidine?
The IUPAC name of 4-chloro-1-(2-ethoxyethylsulfonyl)piperidine (CID 63396672) is 4-chloro-1-(2-ethoxyethylsulfonyl)piperidine.
What is the SMILES notation for 4-chloro-1-(2-ethoxyethylsulfonyl)piperidine?
The canonical SMILES for 4-chloro-1-(2-ethoxyethylsulfonyl)piperidine is CCOCCS(=O)(=O)N1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-(2-ethoxyethylsulfonyl)piperidine?
The InChIKey is ZIERSUVRPVZVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-2-14-7-8-15(12,13)11-5-3-9(10)4-6-11/h9H,2-8H2,1H3.
What are the key properties of 4-chloro-1-(2-ethoxyethylsulfonyl)piperidine?
4-chloro-1-(2-ethoxyethylsulfonyl)piperidine has a molecular weight of 255.77 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-ethoxyethylsulfonyl)piperidine is sourced from PubChem (CID 63396672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).