N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide

C9H18N2O2S — CID 71941303

IUPACN-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide
SMILESCCN(CC(=O)NC)C(=O)C(C)SC
InChIInChI=1S/C9H18N2O2S/c1-5-11(6-8(12)10-3)9(13)7(2)14-4/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyFAXOYGJAYLJBFH-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.33
Rot. Bonds5

About N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide

N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide (PubChem CID 71941303) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide
PubChem CID71941303
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide
SMILESCCN(CC(=O)NC)C(=O)C(C)SC
InChIInChI=1S/C9H18N2O2S/c1-5-11(6-8(12)10-3)9(13)7(2)14-4/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyFAXOYGJAYLJBFH-UHFFFAOYSA-N
XLogP0.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide?
The IUPAC name of N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide (CID 71941303) is N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide is CCN(CC(=O)NC)C(=O)C(C)SC.
What is the InChIKey of N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide?
The InChIKey is FAXOYGJAYLJBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-5-11(6-8(12)10-3)9(13)7(2)14-4/h7H,5-6H2,1-4H3,(H,10,12).
What are the key properties of N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide?
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide has a molecular weight of 218.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 71941303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).