3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide

C11H22N2O2S — CID 115612989

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide
SMILESCCC(CC)CNC(=O)CCSCC(N)=O
InChIInChI=1S/C11H22N2O2S/c1-3-9(4-2)7-13-11(15)5-6-16-8-10(12)14/h9H,3-8H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyDFFTYVCFEGPJQM-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.15
Rot. Bonds9

About 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide (PubChem CID 115612989) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide
PubChem CID115612989
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide
SMILESCCC(CC)CNC(=O)CCSCC(N)=O
InChIInChI=1S/C11H22N2O2S/c1-3-9(4-2)7-13-11(15)5-6-16-8-10(12)14/h9H,3-8H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyDFFTYVCFEGPJQM-UHFFFAOYSA-N
XLogP1.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107561
2-[[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474513
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-chloroprop-2-enyl)propanamide
CID 115636966
3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]propanoic acid
CID 43354849
3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide
CID 22287106
2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-3-methylpentanoic acid
CID 43356489
N-(2-ethylbutyl)-4,4,4-trifluorobutanamide
CID 115659906
3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418562
2-(ethylamino)-N-(2-ethylbutyl)acetamide
CID 115738196
N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 115650073
3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]butanoic acid
CID 43360932
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
CID 65119498

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide (CID 115612989) is 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide is CCC(CC)CNC(=O)CCSCC(N)=O.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide?
The InChIKey is DFFTYVCFEGPJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-9(4-2)7-13-11(15)5-6-16-8-10(12)14/h9H,3-8H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide has a molecular weight of 246.38 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide is sourced from PubChem (CID 115612989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).