1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone

C14H26N2O2S — CID 70724928

IUPAC1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone
SMILESCC[C@H]1COCCN1C(=O)CSCCN1CCCC1
InChIInChI=1S/C14H26N2O2S/c1-2-13-11-18-9-7-16(13)14(17)12-19-10-8-15-5-3-4-6-15/h13H,2-12H2,1H3/t13-/m0/s1
InChIKeyWWITVAJREPLFGM-ZDUSSCGKSA-N
MW286.44 g/mol
LogP1.45
Rot. Bonds6

About 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone

1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone (PubChem CID 70724928) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone
PubChem CID70724928
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone
SMILESCC[C@H]1COCCN1C(=O)CSCCN1CCCC1
InChIInChI=1S/C14H26N2O2S/c1-2-13-11-18-9-7-16(13)14(17)12-19-10-8-15-5-3-4-6-15/h13H,2-12H2,1H3/t13-/m0/s1
InChIKeyWWITVAJREPLFGM-ZDUSSCGKSA-N
XLogP1.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838
2-(1-aminocyclohexyl)-1-(3-ethylmorpholin-4-yl)ethanone
CID 64684792
2-(cyclopentylamino)-1-(3-ethylmorpholin-4-yl)ethanone
CID 54928560
5-bromo-1-(3-ethylmorpholin-4-yl)pentan-1-one
CID 107908453
2-(2-aminocyclohexyl)-1-(3-ethylmorpholin-4-yl)ethanone
CID 62782698
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid
CID 61201831
1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70756628
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone?
The IUPAC name of 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone (CID 70724928) is 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone.
What is the SMILES notation for 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone?
The canonical SMILES for 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone is CC[C@H]1COCCN1C(=O)CSCCN1CCCC1.
What is the InChIKey of 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone?
The InChIKey is WWITVAJREPLFGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-2-13-11-18-9-7-16(13)14(17)12-19-10-8-15-5-3-4-6-15/h13H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone?
1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone has a molecular weight of 286.44 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone is sourced from PubChem (CID 70724928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).