1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione

C16H29NO5S — CID 66594944

IUPAC1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione
SMILESCCCOCCOCCOCCN1C(=O)CC(SCCC)C1=O
InChIInChI=1S/C16H29NO5S/c1-3-6-20-8-10-22-11-9-21-7-5-17-15(18)13-14(16(17)19)23-12-4-2/h14H,3-13H2,1-2H3
InChIKeyCDLKXBPWZRNDAK-UHFFFAOYSA-N
MW347.48 g/mol
LogP1.72
Rot. Bonds14

About 1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione

1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione (PubChem CID 66594944) has the molecular formula C16H29NO5S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione
PubChem CID66594944
Molecular FormulaC16H29NO5S
Molecular Weight347.48 g/mol
Exact Mass347.18
IUPAC Name1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione
SMILESCCCOCCOCCOCCN1C(=O)CC(SCCC)C1=O
InChIInChI=1S/C16H29NO5S/c1-3-6-20-8-10-22-11-9-21-7-5-17-15(18)13-14(16(17)19)23-12-4-2/h14H,3-13H2,1-2H3
InChIKeyCDLKXBPWZRNDAK-UHFFFAOYSA-N
XLogP1.72
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide
CID 20720035
N-[2-(2-methoxyethoxy)ethyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide
CID 58005092
1-(2-Ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione
CID 58281068
1-[2-(2-Methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione
CID 58663421
2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide
CID 58785860
1-(2-Ethoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 58841262
N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide
CID 59301267
2-methoxy-N-[2-[2-[2-[[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxobutyl]amino]ethoxy]ethoxy]ethyl]acetamide
CID 59331209
3-(2-Methylpropylsulfanyl)-1-[2-[2-[2-[3-(2-methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
CID 59349262
1-(2-Methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 59656289
1-(2-Propoxyethyl)-3-propylsulfanylpyrrolidine-2,5-dione
CID 59800793
3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 60019025

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione (CID 66594944) is 1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione is CCCOCCOCCOCCN1C(=O)CC(SCCC)C1=O.
What is the InChIKey of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione?
The InChIKey is CDLKXBPWZRNDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5S/c1-3-6-20-8-10-22-11-9-21-7-5-17-15(18)13-14(16(17)19)23-12-4-2/h14H,3-13H2,1-2H3.
What are the key properties of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione?
1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione has a molecular weight of 347.48 g/mol, XLogP of 1.72, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 66594944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).