4-ethylpiperazine-1-sulfonyl chloride

C6H13ClN2O2S — CID 16781113

IUPAC4-ethylpiperazine-1-sulfonyl chloride
SMILESCCN1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C6H13ClN2O2S/c1-2-8-3-5-9(6-4-8)12(7,10)11/h2-6H2,1H3
InChIKeyPGJGEPQKJHQLQA-UHFFFAOYSA-N
MW212.70 g/mol
LogP0.11
Rot. Bonds2

About 4-ethylpiperazine-1-sulfonyl chloride

4-ethylpiperazine-1-sulfonyl chloride (PubChem CID 16781113) has the molecular formula C6H13ClN2O2S and a molecular weight of 212.70 g/mol. Its IUPAC name is 4-ethylpiperazine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-ethylpiperazine-1-sulfonyl chloride
PubChem CID16781113
Molecular FormulaC6H13ClN2O2S
Molecular Weight212.70 g/mol
Exact Mass212.04
IUPAC Name4-ethylpiperazine-1-sulfonyl chloride
SMILESCCN1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C6H13ClN2O2S/c1-2-8-3-5-9(6-4-8)12(7,10)11/h2-6H2,1H3
InChIKeyPGJGEPQKJHQLQA-UHFFFAOYSA-N
XLogP0.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpiperazine-1-sulfonyl chloride?
The IUPAC name of 4-ethylpiperazine-1-sulfonyl chloride (CID 16781113) is 4-ethylpiperazine-1-sulfonyl chloride.
What is the SMILES notation for 4-ethylpiperazine-1-sulfonyl chloride?
The canonical SMILES for 4-ethylpiperazine-1-sulfonyl chloride is CCN1CCN(S(=O)(=O)Cl)CC1.
What is the InChIKey of 4-ethylpiperazine-1-sulfonyl chloride?
The InChIKey is PGJGEPQKJHQLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClN2O2S/c1-2-8-3-5-9(6-4-8)12(7,10)11/h2-6H2,1H3.
What are the key properties of 4-ethylpiperazine-1-sulfonyl chloride?
4-ethylpiperazine-1-sulfonyl chloride has a molecular weight of 212.70 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpiperazine-1-sulfonyl chloride is sourced from PubChem (CID 16781113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).