2-(2-aminoethylsulfinyl)-N,N-diethylacetamide

C8H18N2O2S — CID 81174658

IUPAC2-(2-aminoethylsulfinyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)CCN
InChIInChI=1S/C8H18N2O2S/c1-3-10(4-2)8(11)7-13(12)6-5-9/h3-7,9H2,1-2H3
InChIKeyLWUKHXIPYUKMRL-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.44
Rot. Bonds6

About 2-(2-aminoethylsulfinyl)-N,N-diethylacetamide

2-(2-aminoethylsulfinyl)-N,N-diethylacetamide (PubChem CID 81174658) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(2-aminoethylsulfinyl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfinyl)-N,N-diethylacetamide
PubChem CID81174658
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(2-aminoethylsulfinyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)CCN
InChIInChI=1S/C8H18N2O2S/c1-3-10(4-2)8(11)7-13(12)6-5-9/h3-7,9H2,1-2H3
InChIKeyLWUKHXIPYUKMRL-UHFFFAOYSA-N
XLogP-0.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide
CID 123102378
2-(diethylamino)-2-oxoethanesulfinyl chloride
CID 165452710
2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide
CID 114232919
2-[[2-(diethylamino)-2-oxoethyl]sulfinylmethyl]-3,3,3-trifluoropropanoic acid
CID 114232465
N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide
CID 112741796
2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide
CID 81187098
2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide
CID 81175881
N,N-diethyl-2-[3-methoxy-2-(methylamino)propyl]sulfinylacetamide
CID 114232956
2-(ethoxymethylsulfinyl)ethanamine
CID 81175011
2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide
CID 99841875
N,N-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877
N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide
CID 107767316

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfinyl)-N,N-diethylacetamide?
The IUPAC name of 2-(2-aminoethylsulfinyl)-N,N-diethylacetamide (CID 81174658) is 2-(2-aminoethylsulfinyl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-aminoethylsulfinyl)-N,N-diethylacetamide?
The canonical SMILES for 2-(2-aminoethylsulfinyl)-N,N-diethylacetamide is CCN(CC)C(=O)CS(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfinyl)-N,N-diethylacetamide?
The InChIKey is LWUKHXIPYUKMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-10(4-2)8(11)7-13(12)6-5-9/h3-7,9H2,1-2H3.
What are the key properties of 2-(2-aminoethylsulfinyl)-N,N-diethylacetamide?
2-(2-aminoethylsulfinyl)-N,N-diethylacetamide has a molecular weight of 206.31 g/mol, XLogP of -0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfinyl)-N,N-diethylacetamide is sourced from PubChem (CID 81174658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).