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

C9H18N2O2S — CID 94170765

IUPAC(2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide
SMILESCCN(CC(=O)NC)C(=O)[C@@H](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)/t7-/m1/s1
InChIKeyFAXOYGJAYLJBFH-SSDOTTSWSA-N
MW218.32 g/mol
LogP0.33
Rot. Bonds5

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

(2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide (PubChem CID 94170765) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide
PubChem CID94170765
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name(2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide
SMILESCCN(CC(=O)NC)C(=O)[C@@H](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)/t7-/m1/s1
InChIKeyFAXOYGJAYLJBFH-SSDOTTSWSA-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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Related Compounds

(2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 61156283
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 60837009
(2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 94456522
2-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 43579092
N-ethyl-3-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 62837362
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid
CID 55097076
N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 43616725
N-ethyl-2-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-oxoacetamide
CID 61450123
2-[[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223396
(2R)-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 78972133
2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 54985451
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide (CID 94170765) is (2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide is CCN(CC(=O)NC)C(=O)[C@@H](C)SC.
What is the InChIKey of (2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide?
The InChIKey is FAXOYGJAYLJBFH-SSDOTTSWSA-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)/t7-/m1/s1.
What are the key properties of (2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide?
(2R)-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 (2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 94170765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).