1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one

C10H19NO4S — CID 168709349

IUPAC1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1CCOCCOCCO
InChIInChI=1S/C10H19NO4S/c12-2-4-15-6-5-14-3-1-11-8-9(16)7-10(11)13/h9,12,16H,1-8H2
InChIKeyGMBPNDLLNBOXMC-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.46
Rot. Bonds8

About 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one

1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one (PubChem CID 168709349) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one
PubChem CID168709349
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1CCOCCOCCO
InChIInChI=1S/C10H19NO4S/c12-2-4-15-6-5-14-3-1-11-8-9(16)7-10(11)13/h9,12,16H,1-8H2
InChIKeyGMBPNDLLNBOXMC-UHFFFAOYSA-N
XLogP-0.46
TPSA59.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
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-hydroxyethyl)-4-sulfanylpyrrolidin-2-one
CID 168709345
4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168508268
4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168501624
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168697250
1-(6-hydroxyhexyl)-4-sulfanylpyrrolidin-2-one
CID 168709296
1-[2-(2-hydroxyethoxy)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714855
7-(2-oxo-4-sulfanylpyrrolidin-1-yl)heptanoic acid
CID 168709291
4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168687507
N-[2-(2-hydroxyethoxy)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55024342
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696255
1-[2-(2-aminoethoxy)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670942
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168501623

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one (CID 168709349) is 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1CCOCCOCCO.
What is the InChIKey of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one?
The InChIKey is GMBPNDLLNBOXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c12-2-4-15-6-5-14-3-1-11-8-9(16)7-10(11)13/h9,12,16H,1-8H2.
What are the key properties of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one?
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one has a molecular weight of 249.33 g/mol, XLogP of -0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168709349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).