2-(dimethylamino)ethanesulfonyl chloride;hydrochloride

C4H11Cl2NO2S — CID 14219658

IUPAC2-(dimethylamino)ethanesulfonyl chloride;hydrochloride
SMILESCN(C)CCS(=O)(=O)Cl.Cl
InChIInChI=1S/C4H10ClNO2S.ClH/c1-6(2)3-4-9(5,7)8;/h3-4H2,1-2H3;1H
InChIKeyULUAVLWDTODMAX-UHFFFAOYSA-N
MW208.11 g/mol
LogP0.54
Rot. Bonds3

About 2-(dimethylamino)ethanesulfonyl chloride;hydrochloride

2-(dimethylamino)ethanesulfonyl chloride;hydrochloride (PubChem CID 14219658) has the molecular formula C4H11Cl2NO2S and a molecular weight of 208.11 g/mol. Its IUPAC name is 2-(dimethylamino)ethanesulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethanesulfonyl chloride;hydrochloride
PubChem CID14219658
Molecular FormulaC4H11Cl2NO2S
Molecular Weight208.11 g/mol
Exact Mass206.99
IUPAC Name2-(dimethylamino)ethanesulfonyl chloride;hydrochloride
SMILESCN(C)CCS(=O)(=O)Cl.Cl
InChIInChI=1S/C4H10ClNO2S.ClH/c1-6(2)3-4-9(5,7)8;/h3-4H2,1-2H3;1H
InChIKeyULUAVLWDTODMAX-UHFFFAOYSA-N
XLogP0.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanesulfonyl chloride;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethanesulfonyl chloride;hydrochloride (CID 14219658) is 2-(dimethylamino)ethanesulfonyl chloride;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethanesulfonyl chloride;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethanesulfonyl chloride;hydrochloride is CN(C)CCS(=O)(=O)Cl.Cl.
What is the InChIKey of 2-(dimethylamino)ethanesulfonyl chloride;hydrochloride?
The InChIKey is ULUAVLWDTODMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO2S.ClH/c1-6(2)3-4-9(5,7)8;/h3-4H2,1-2H3;1H.
What are the key properties of 2-(dimethylamino)ethanesulfonyl chloride;hydrochloride?
2-(dimethylamino)ethanesulfonyl chloride;hydrochloride has a molecular weight of 208.11 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanesulfonyl chloride;hydrochloride is sourced from PubChem (CID 14219658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).