2-(diethylamino)ethanesulfonyl chloride

C6H14ClNO2S — CID 89496297

IUPAC2-(diethylamino)ethanesulfonyl chloride
SMILESCCN(CC)CCS(=O)(=O)Cl
InChIInChI=1S/C6H14ClNO2S/c1-3-8(4-2)5-6-11(7,9)10/h3-6H2,1-2H3
InChIKeyAKEJPSDFNVLJQJ-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.90
Rot. Bonds5

About 2-(diethylamino)ethanesulfonyl chloride

2-(diethylamino)ethanesulfonyl chloride (PubChem CID 89496297) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is 2-(diethylamino)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(diethylamino)ethanesulfonyl chloride
PubChem CID89496297
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name2-(diethylamino)ethanesulfonyl chloride
SMILESCCN(CC)CCS(=O)(=O)Cl
InChIInChI=1S/C6H14ClNO2S/c1-3-8(4-2)5-6-11(7,9)10/h3-6H2,1-2H3
InChIKeyAKEJPSDFNVLJQJ-UHFFFAOYSA-N
XLogP0.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethanesulfonyl chloride?
The IUPAC name of 2-(diethylamino)ethanesulfonyl chloride (CID 89496297) is 2-(diethylamino)ethanesulfonyl chloride.
What is the SMILES notation for 2-(diethylamino)ethanesulfonyl chloride?
The canonical SMILES for 2-(diethylamino)ethanesulfonyl chloride is CCN(CC)CCS(=O)(=O)Cl.
What is the InChIKey of 2-(diethylamino)ethanesulfonyl chloride?
The InChIKey is AKEJPSDFNVLJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO2S/c1-3-8(4-2)5-6-11(7,9)10/h3-6H2,1-2H3.
What are the key properties of 2-(diethylamino)ethanesulfonyl chloride?
2-(diethylamino)ethanesulfonyl chloride has a molecular weight of 199.70 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethanesulfonyl chloride is sourced from PubChem (CID 89496297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).