2-(dimethylamino)ethanesulfonyl chloride

C4H10ClNO2S — CID 14219657

IUPAC2-(dimethylamino)ethanesulfonyl chloride
SMILESCN(C)CCS(=O)(=O)Cl
InChIInChI=1S/C4H10ClNO2S/c1-6(2)3-4-9(5,7)8/h3-4H2,1-2H3
InChIKeyGZIHJZQDTQEGRU-UHFFFAOYSA-N
MW171.65 g/mol
LogP0.12
Rot. Bonds3

About 2-(dimethylamino)ethanesulfonyl chloride

2-(dimethylamino)ethanesulfonyl chloride (PubChem CID 14219657) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is 2-(dimethylamino)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(dimethylamino)ethanesulfonyl chloride
PubChem CID14219657
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Name2-(dimethylamino)ethanesulfonyl chloride
SMILESCN(C)CCS(=O)(=O)Cl
InChIInChI=1S/C4H10ClNO2S/c1-6(2)3-4-9(5,7)8/h3-4H2,1-2H3
InChIKeyGZIHJZQDTQEGRU-UHFFFAOYSA-N
XLogP0.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 50.12
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?
The IUPAC name of 2-(dimethylamino)ethanesulfonyl chloride (CID 14219657) is 2-(dimethylamino)ethanesulfonyl chloride.
What is the SMILES notation for 2-(dimethylamino)ethanesulfonyl chloride?
The canonical SMILES for 2-(dimethylamino)ethanesulfonyl chloride is CN(C)CCS(=O)(=O)Cl.
What is the InChIKey of 2-(dimethylamino)ethanesulfonyl chloride?
The InChIKey is GZIHJZQDTQEGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO2S/c1-6(2)3-4-9(5,7)8/h3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethanesulfonyl chloride?
2-(dimethylamino)ethanesulfonyl chloride has a molecular weight of 171.65 g/mol, XLogP of 0.12, 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 is sourced from PubChem (CID 14219657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).