5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one

C12H24N2OS — CID 56859292

IUPAC5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one
SMILESCCNCCC1CCC(=O)N1CCCSC
InChIInChI=1S/C12H24N2OS/c1-3-13-8-7-11-5-6-12(15)14(11)9-4-10-16-2/h11,13H,3-10H2,1-2H3
InChIKeyLRKJIRMRAFDCPB-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.73
Rot. Bonds8

About 5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one

5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one (PubChem CID 56859292) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one
PubChem CID56859292
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one
SMILESCCNCCC1CCC(=O)N1CCCSC
InChIInChI=1S/C12H24N2OS/c1-3-13-8-7-11-5-6-12(15)14(11)9-4-10-16-2/h11,13H,3-10H2,1-2H3
InChIKeyLRKJIRMRAFDCPB-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one (CID 56859292) is 5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one is CCNCCC1CCC(=O)N1CCCSC.
What is the InChIKey of 5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one?
The InChIKey is LRKJIRMRAFDCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-13-8-7-11-5-6-12(15)14(11)9-4-10-16-2/h11,13H,3-10H2,1-2H3.
What are the key properties of 5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one?
5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one has a molecular weight of 244.40 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 56859292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).