1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one

C12H23NO3S2 — CID 168983860

IUPAC1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCSCCOCCOCCS
InChIInChI=1S/C12H23NO3S2/c14-12-2-1-3-13(12)4-10-18-11-8-16-6-5-15-7-9-17/h17H,1-11H2
InChIKeyBYLLROMLYCLMJH-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.30
Rot. Bonds11

About 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one

1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one (PubChem CID 168983860) has the molecular formula C12H23NO3S2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one
PubChem CID168983860
Molecular FormulaC12H23NO3S2
Molecular Weight293.45 g/mol
Exact Mass293.11
IUPAC Name1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCSCCOCCOCCS
InChIInChI=1S/C12H23NO3S2/c14-12-2-1-3-13(12)4-10-18-11-8-16-6-5-15-7-9-17/h17H,1-11H2
InChIKeyBYLLROMLYCLMJH-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one
CID 14553076
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 71094030
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-(2-silylethyl)pyrrolidin-2-one
CID 154480854
1-[3-[4-(2-oxopyrrolidin-1-yl)butoxy]propyl]azepan-2-one
CID 67617639
1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one
CID 67625232
1,3-bis[3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethoxy]ethylsulfanyl]propyl]imidazolidin-2-one
CID 154988674
azane;1-(2-bromoethyl)pyrrolidin-2-one
CID 174693933
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559
1-[(2-oxopyrrolidin-1-yl)methoxymethyl]pyrrolidin-2-one
CID 56986505

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one (CID 168983860) is 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCSCCOCCOCCS.
What is the InChIKey of 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one?
The InChIKey is BYLLROMLYCLMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S2/c14-12-2-1-3-13(12)4-10-18-11-8-16-6-5-15-7-9-17/h17H,1-11H2.
What are the key properties of 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one?
1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one has a molecular weight of 293.45 g/mol, XLogP of 1.30, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168983860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).