(3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione

C14H20N2O6S2 — CID 86287509

IUPAC(3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](S)C(=O)N1CCOCCOCCN1C(=O)C[C@H](S)C1=O
InChIInChI=1S/C14H20N2O6S2/c17-11-7-9(23)13(19)15(11)1-3-21-5-6-22-4-2-16-12(18)8-10(24)14(16)20/h9-10,23-24H,1-8H2/t9-,10-/m0/s1
InChIKeyKGPMYVDVZMZASD-UWVGGRQHSA-N
MW376.46 g/mol
LogP-0.87
Rot. Bonds9

About (3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione

(3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione (PubChem CID 86287509) has the molecular formula C14H20N2O6S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione
PubChem CID86287509
Molecular FormulaC14H20N2O6S2
Molecular Weight376.46 g/mol
Exact Mass376.08
IUPAC Name(3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](S)C(=O)N1CCOCCOCCN1C(=O)C[C@H](S)C1=O
InChIInChI=1S/C14H20N2O6S2/c17-11-7-9(23)13(19)15(11)1-3-21-5-6-22-4-2-16-12(18)8-10(24)14(16)20/h9-10,23-24H,1-8H2/t9-,10-/m0/s1
InChIKeyKGPMYVDVZMZASD-UWVGGRQHSA-N
XLogP-0.87
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]methoxymethyl]-3-sulfanylpyrrolidine-2,5-dione
CID 446566
(3R)-1-[4-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione
CID 53245659
(3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione
CID 163410348
1-[2-[2-(2,5-Dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione
CID 13175549
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-(2-Methoxyethoxy)ethyl]-3-propoxysulfanylpyrrolidine-2,5-dione
CID 60022184
1-(2-Ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one
CID 87856879
3-Methylsulfanyl-1-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione
CID 89594653
3-Methylsulfanyl-1-[2-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
CID 118490841
1-[2-[2-[2-[3-(2-Methylpropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione
CID 124134450
1-[2-[2-[2-(2-Oxopyrrolidin-1-yl)ethoxy]ethoxy]ethyl]pyrrolidin-2-one
CID 132054642
1-[2-[2-[2-(2,5-Dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-3-methylsulfanylpyrrolidine-2,5-dione
CID 132273814

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione (CID 86287509) is (3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione is O=C1C[C@H](S)C(=O)N1CCOCCOCCN1C(=O)C[C@H](S)C1=O.
What is the InChIKey of (3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione?
The InChIKey is KGPMYVDVZMZASD-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H20N2O6S2/c17-11-7-9(23)13(19)15(11)1-3-21-5-6-22-4-2-16-12(18)8-10(24)14(16)20/h9-10,23-24H,1-8H2/t9-,10-/m0/s1.
What are the key properties of (3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione?
(3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione has a molecular weight of 376.46 g/mol, XLogP of -0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 86287509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).