2-piperidin-1-ylethanesulfonyl chloride

C7H14ClNO2S — CID 14106997

IUPAC2-piperidin-1-ylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCN1CCCCC1
InChIInChI=1S/C7H14ClNO2S/c8-12(10,11)7-6-9-4-2-1-3-5-9/h1-7H2
InChIKeyWBJJAAXGNOYTCA-UHFFFAOYSA-N
MW211.71 g/mol
LogP1.04
Rot. Bonds3

About 2-piperidin-1-ylethanesulfonyl chloride

2-piperidin-1-ylethanesulfonyl chloride (PubChem CID 14106997) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 2-piperidin-1-ylethanesulfonyl chloride.

Molecular Properties

Compound Name2-piperidin-1-ylethanesulfonyl chloride
PubChem CID14106997
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name2-piperidin-1-ylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCN1CCCCC1
InChIInChI=1S/C7H14ClNO2S/c8-12(10,11)7-6-9-4-2-1-3-5-9/h1-7H2
InChIKeyWBJJAAXGNOYTCA-UHFFFAOYSA-N
XLogP1.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethanesulfonyl chloride?
The IUPAC name of 2-piperidin-1-ylethanesulfonyl chloride (CID 14106997) is 2-piperidin-1-ylethanesulfonyl chloride.
What is the SMILES notation for 2-piperidin-1-ylethanesulfonyl chloride?
The canonical SMILES for 2-piperidin-1-ylethanesulfonyl chloride is O=S(=O)(Cl)CCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethanesulfonyl chloride?
The InChIKey is WBJJAAXGNOYTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c8-12(10,11)7-6-9-4-2-1-3-5-9/h1-7H2.
What are the key properties of 2-piperidin-1-ylethanesulfonyl chloride?
2-piperidin-1-ylethanesulfonyl chloride has a molecular weight of 211.71 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethanesulfonyl chloride is sourced from PubChem (CID 14106997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).