N,N-diethyl-2-methylsulfinylethanamine

C7H17NOS — CID 123113037

IUPACN,N-diethyl-2-methylsulfinylethanamine
SMILESCCN(CC)CCS(C)=O
InChIInChI=1S/C7H17NOS/c1-4-8(5-2)6-7-10(3)9/h4-7H2,1-3H3
InChIKeyOOSNFXPYMUBEEL-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.71
Rot. Bonds5

About N,N-diethyl-2-methylsulfinylethanamine

N,N-diethyl-2-methylsulfinylethanamine (PubChem CID 123113037) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is N,N-diethyl-2-methylsulfinylethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-methylsulfinylethanamine
PubChem CID123113037
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC NameN,N-diethyl-2-methylsulfinylethanamine
SMILESCCN(CC)CCS(C)=O
InChIInChI=1S/C7H17NOS/c1-4-8(5-2)6-7-10(3)9/h4-7H2,1-3H3
InChIKeyOOSNFXPYMUBEEL-UHFFFAOYSA-N
XLogP0.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diethyl(2-(methylsulfanyl)ethyl)amine
CID 23279044
Ammonium, sulfinyldiethylenebis(ethyldimethyl-, dibromide
CID 45667
Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N,N'-sulfinyldiethylenedi-, diiodide
CID 45776
2-[2-(diethylamino)ethylsulfinyl]-N,N-diethylethanamine
CID 3895454
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
Trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfinyl]ethyl]azanium
CID 45672
Triethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethylsulfinyl]ethyl]azanium
CID 45758
Diethyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfinyl]ethyl]azanium
CID 45777
(2-(Ethylsulfinyl)ethyl)trimethylammonium iodide
CID 3026638
N,N-diethyl-2-methylsulfonylethanamine
CID 11435289

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylsulfinylethanamine?
The IUPAC name of N,N-diethyl-2-methylsulfinylethanamine (CID 123113037) is N,N-diethyl-2-methylsulfinylethanamine.
What is the SMILES notation for N,N-diethyl-2-methylsulfinylethanamine?
The canonical SMILES for N,N-diethyl-2-methylsulfinylethanamine is CCN(CC)CCS(C)=O.
What is the InChIKey of N,N-diethyl-2-methylsulfinylethanamine?
The InChIKey is OOSNFXPYMUBEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-4-8(5-2)6-7-10(3)9/h4-7H2,1-3H3.
What are the key properties of N,N-diethyl-2-methylsulfinylethanamine?
N,N-diethyl-2-methylsulfinylethanamine has a molecular weight of 163.29 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylsulfinylethanamine is sourced from PubChem (CID 123113037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).