2-(dimethylamino)-2-oxoethanesulfonyl chloride

C4H8ClNO3S — CID 58597643

IUPAC2-(dimethylamino)-2-oxoethanesulfonyl chloride
SMILESCN(C)C(=O)CS(=O)(=O)Cl
InChIInChI=1S/C4H8ClNO3S/c1-6(2)4(7)3-10(5,8)9/h3H2,1-2H3
InChIKeyQCOLUTLBSUAPTR-UHFFFAOYSA-N
MW185.63 g/mol
LogP-0.36
Rot. Bonds2

About 2-(dimethylamino)-2-oxoethanesulfonyl chloride

2-(dimethylamino)-2-oxoethanesulfonyl chloride (PubChem CID 58597643) has the molecular formula C4H8ClNO3S and a molecular weight of 185.63 g/mol. Its IUPAC name is 2-(dimethylamino)-2-oxoethanesulfonyl chloride.

Molecular Properties

Compound Name2-(dimethylamino)-2-oxoethanesulfonyl chloride
PubChem CID58597643
Molecular FormulaC4H8ClNO3S
Molecular Weight185.63 g/mol
Exact Mass184.99
IUPAC Name2-(dimethylamino)-2-oxoethanesulfonyl chloride
SMILESCN(C)C(=O)CS(=O)(=O)Cl
InChIInChI=1S/C4H8ClNO3S/c1-6(2)4(7)3-10(5,8)9/h3H2,1-2H3
InChIKeyQCOLUTLBSUAPTR-UHFFFAOYSA-N
XLogP-0.36
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-oxoethanesulfonyl chloride?
The IUPAC name of 2-(dimethylamino)-2-oxoethanesulfonyl chloride (CID 58597643) is 2-(dimethylamino)-2-oxoethanesulfonyl chloride.
What is the SMILES notation for 2-(dimethylamino)-2-oxoethanesulfonyl chloride?
The canonical SMILES for 2-(dimethylamino)-2-oxoethanesulfonyl chloride is CN(C)C(=O)CS(=O)(=O)Cl.
What is the InChIKey of 2-(dimethylamino)-2-oxoethanesulfonyl chloride?
The InChIKey is QCOLUTLBSUAPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO3S/c1-6(2)4(7)3-10(5,8)9/h3H2,1-2H3.
What are the key properties of 2-(dimethylamino)-2-oxoethanesulfonyl chloride?
2-(dimethylamino)-2-oxoethanesulfonyl chloride has a molecular weight of 185.63 g/mol, XLogP of -0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-oxoethanesulfonyl chloride is sourced from PubChem (CID 58597643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).