2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine

C12H28N2OS — CID 3895454

IUPAC2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine
SMILESCCN(CC)CCS(=O)CCN(CC)CC
InChIInChI=1S/C12H28N2OS/c1-5-13(6-2)9-11-16(15)12-10-14(7-3)8-4/h5-12H2,1-4H3
InChIKeyMWFDWIJVEHBESU-UHFFFAOYSA-N
MW248.44 g/mol
LogP1.42
Rot. Bonds10

About 2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine

2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine (PubChem CID 3895454) has the molecular formula C12H28N2OS and a molecular weight of 248.44 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine
PubChem CID3895454
Molecular FormulaC12H28N2OS
Molecular Weight248.44 g/mol
Exact Mass248.19
IUPAC Name2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine
SMILESCCN(CC)CCS(=O)CCN(CC)CC
InChIInChI=1S/C12H28N2OS/c1-5-13(6-2)9-11-16(15)12-10-14(7-3)8-4/h5-12H2,1-4H3
InChIKeyMWFDWIJVEHBESU-UHFFFAOYSA-N
XLogP1.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bis(2-diethylaminoethyl) sulfide
CID 338104
Ammonium, sulfinyldiethylenebis(diethylmethyl-, diiodide
CID 45665
Ammonium, sulfinyldiethylenebis(ethyldimethyl-, dibromide
CID 45667
Ammonium, sulfinyldiethylenebis(triethyl-, dibromide
CID 45669
2,2'-Sulfinylbis(N,N,N-trimethylethan-1-aminium) diiodide
CID 45671
Ammonium, N,N-dimethyl-N,N',N',N'-tetraethyl-N,N'-sulfinyldiethylenedi-, dibromide
CID 45757
Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N,N'-sulfinyldiethylenedi-, diiodide
CID 45776
Tiametonium
CID 25280
N-(2-{[2-(dimethylamino)ethyl]sulfonyl}ethyl)-N,N-dimethylamine
CID 282268
2-[2-[Diethyl(methyl)azaniumyl]ethylsulfinyl]ethyl-diethyl-methylazanium
CID 45666
Ethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethylsulfinyl]ethyl]-dimethylazanium
CID 45668
Triethyl-[2-[2-(triethylazaniumyl)ethylsulfinyl]ethyl]azanium
CID 45670

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine (CID 3895454) is 2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine is CCN(CC)CCS(=O)CCN(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine?
The InChIKey is MWFDWIJVEHBESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2OS/c1-5-13(6-2)9-11-16(15)12-10-14(7-3)8-4/h5-12H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine?
2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine has a molecular weight of 248.44 g/mol, XLogP of 1.42, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine is sourced from PubChem (CID 3895454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).