3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one

C12H23N3OS — CID 114173849

IUPAC3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one
SMILESCCNC1CCN(CCN2CCSCC2)C1=O
InChIInChI=1S/C12H23N3OS/c1-2-13-11-3-4-15(12(11)16)6-5-14-7-9-17-10-8-14/h11,13H,2-10H2,1H3
InChIKeyOKLSBCLGJOIJOE-UHFFFAOYSA-N
MW257.40 g/mol
LogP0.25
Rot. Bonds5

About 3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one

3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one (PubChem CID 114173849) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one
PubChem CID114173849
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one
SMILESCCNC1CCN(CCN2CCSCC2)C1=O
InChIInChI=1S/C12H23N3OS/c1-2-13-11-3-4-15(12(11)16)6-5-14-7-9-17-10-8-14/h11,13H,2-10H2,1H3
InChIKeyOKLSBCLGJOIJOE-UHFFFAOYSA-N
XLogP0.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one (CID 114173849) is 3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one is CCNC1CCN(CCN2CCSCC2)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one?
The InChIKey is OKLSBCLGJOIJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-2-13-11-3-4-15(12(11)16)6-5-14-7-9-17-10-8-14/h11,13H,2-10H2,1H3.
What are the key properties of 3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one?
3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one has a molecular weight of 257.40 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 114173849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).