2-(diethylamino)-2-oxoethanesulfinyl chloride

C6H12ClNO2S — CID 165452710

IUPAC2-(diethylamino)-2-oxoethanesulfinyl chloride
SMILESCCN(CC)C(=O)CS(=O)Cl
InChIInChI=1S/C6H12ClNO2S/c1-3-8(4-2)6(9)5-11(7)10/h3-5H2,1-2H3
InChIKeyYOSFZBAYSVUNCX-UHFFFAOYSA-N
MW197.69 g/mol
LogP0.76
Rot. Bonds4

About 2-(diethylamino)-2-oxoethanesulfinyl chloride

2-(diethylamino)-2-oxoethanesulfinyl chloride (PubChem CID 165452710) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 2-(diethylamino)-2-oxoethanesulfinyl chloride.

Molecular Properties

Compound Name2-(diethylamino)-2-oxoethanesulfinyl chloride
PubChem CID165452710
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name2-(diethylamino)-2-oxoethanesulfinyl chloride
SMILESCCN(CC)C(=O)CS(=O)Cl
InChIInChI=1S/C6H12ClNO2S/c1-3-8(4-2)6(9)5-11(7)10/h3-5H2,1-2H3
InChIKeyYOSFZBAYSVUNCX-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethylsulfinyl)-N,N-diethylacetamide
CID 81174658
N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide
CID 123102378
2-diethoxyphosphoryl-N,N-diethylacetamide
CID 13124144
3-(chloromethylsulfonylamino)-N,N-diethylpropanamide
CID 63665762
2-chlorosulfinylacetic acid
CID 87759618
2-[[2-(diethylamino)-2-oxoethyl]sulfinylmethyl]-3,3,3-trifluoropropanoic acid
CID 114232465
2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
CID 12729092
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
2-(diethylamino)-N,N-diethylacetamide
CID 13352066
N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide
CID 112741796
N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride
CID 168874337
2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide
CID 114232919

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-oxoethanesulfinyl chloride?
The IUPAC name of 2-(diethylamino)-2-oxoethanesulfinyl chloride (CID 165452710) is 2-(diethylamino)-2-oxoethanesulfinyl chloride.
What is the SMILES notation for 2-(diethylamino)-2-oxoethanesulfinyl chloride?
The canonical SMILES for 2-(diethylamino)-2-oxoethanesulfinyl chloride is CCN(CC)C(=O)CS(=O)Cl.
What is the InChIKey of 2-(diethylamino)-2-oxoethanesulfinyl chloride?
The InChIKey is YOSFZBAYSVUNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c1-3-8(4-2)6(9)5-11(7)10/h3-5H2,1-2H3.
What are the key properties of 2-(diethylamino)-2-oxoethanesulfinyl chloride?
2-(diethylamino)-2-oxoethanesulfinyl chloride has a molecular weight of 197.69 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-oxoethanesulfinyl chloride is sourced from PubChem (CID 165452710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).