3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide

C16H31N3O3S — CID 42951640

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
SMILESCCC(CC)C(CNC(=O)CCSCC(N)=O)N1CCOCC1
InChIInChI=1S/C16H31N3O3S/c1-3-13(4-2)14(19-6-8-22-9-7-19)11-18-16(21)5-10-23-12-15(17)20/h13-14H,3-12H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyMSZCUXQCTJSALD-UHFFFAOYSA-N
MW345.51 g/mol
LogP0.85
Rot. Bonds11

About 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide (PubChem CID 42951640) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
PubChem CID42951640
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
SMILESCCC(CC)C(CNC(=O)CCSCC(N)=O)N1CCOCC1
InChIInChI=1S/C16H31N3O3S/c1-3-13(4-2)14(19-6-8-22-9-7-19)11-18-16(21)5-10-23-12-15(17)20/h13-14H,3-12H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyMSZCUXQCTJSALD-UHFFFAOYSA-N
XLogP0.85
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylthio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide
CID 71806108
N-{[(3S4R)-3-(Dimethylamino)-1-(thian-4-YL)piperidin-4-YL]methyl}-2-methoxyacetamide
CID 91920977
3-ethyl-2-morpholin-4-yl-N-(2-sulfanylethyl)pentanamide
CID 177679471
N-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
CID 45192024
(+/-)-2-[(Acetylthio)methyl]-4-methyl-N-[2-(4-morpholinyl)ethyl]pentanamide
CID 13017558
6-(Methylamino)-4-(thian-4-ylmethyl)-1,4-oxazepan-5-one
CID 22985272
(2S)-2-[[(2S)-2-[butanoyl(methyl)amino]-3-(2-methyl-1-morpholin-4-ylpropan-2-yl)sulfanylpropanoyl]-methylamino]-4-methylpentanamide
CID 67130073
(2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide
CID 67166346
(2S)-2-[[(2S)-2-[butanoyl(methyl)amino]-3-(3-morpholin-4-ylpropylsulfanyl)propanoyl]-methylamino]-4-methylpentanamide
CID 68029374
N-butyl-2-[2-methyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-5-oxopentan-2-yl]sulfanylacetamide
CID 68354276
(2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one
CID 69154222
2-[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-methyl-5-oxopentan-2-yl]sulfanyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 89678430

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide (CID 42951640) is 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide is CCC(CC)C(CNC(=O)CCSCC(N)=O)N1CCOCC1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide?
The InChIKey is MSZCUXQCTJSALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-3-13(4-2)14(19-6-8-22-9-7-19)11-18-16(21)5-10-23-12-15(17)20/h13-14H,3-12H2,1-2H3,(H2,17,20)(H,18,21).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide has a molecular weight of 345.51 g/mol, XLogP of 0.85, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide is sourced from PubChem (CID 42951640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).