3-ethylpiperidine-1-sulfonyl chloride

C7H14ClNO2S — CID 43584404

IUPAC3-ethylpiperidine-1-sulfonyl chloride
SMILESCCC1CCCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C7H14ClNO2S/c1-2-7-4-3-5-9(6-7)12(8,10)11/h7H,2-6H2,1H3
InChIKeyFEDVOCXFMVFZDV-UHFFFAOYSA-N
MW211.71 g/mol
LogP1.59
Rot. Bonds2

About 3-ethylpiperidine-1-sulfonyl chloride

3-ethylpiperidine-1-sulfonyl chloride (PubChem CID 43584404) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 3-ethylpiperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name3-ethylpiperidine-1-sulfonyl chloride
PubChem CID43584404
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name3-ethylpiperidine-1-sulfonyl chloride
SMILESCCC1CCCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C7H14ClNO2S/c1-2-7-4-3-5-9(6-7)12(8,10)11/h7H,2-6H2,1H3
InChIKeyFEDVOCXFMVFZDV-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpiperidine-1-sulfonyl chloride?
The IUPAC name of 3-ethylpiperidine-1-sulfonyl chloride (CID 43584404) is 3-ethylpiperidine-1-sulfonyl chloride.
What is the SMILES notation for 3-ethylpiperidine-1-sulfonyl chloride?
The canonical SMILES for 3-ethylpiperidine-1-sulfonyl chloride is CCC1CCCN(S(=O)(=O)Cl)C1.
What is the InChIKey of 3-ethylpiperidine-1-sulfonyl chloride?
The InChIKey is FEDVOCXFMVFZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-2-7-4-3-5-9(6-7)12(8,10)11/h7H,2-6H2,1H3.
What are the key properties of 3-ethylpiperidine-1-sulfonyl chloride?
3-ethylpiperidine-1-sulfonyl chloride has a molecular weight of 211.71 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpiperidine-1-sulfonyl chloride is sourced from PubChem (CID 43584404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).