1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one

C11H21NO2S — CID 163824357

IUPAC1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one
SMILESCC(CC(C)N1CCCC1=O)SCCO
InChIInChI=1S/C11H21NO2S/c1-9(8-10(2)15-7-6-13)12-5-3-4-11(12)14/h9-10,13H,3-8H2,1-2H3
InChIKeyNYDJNEZLBXLVBT-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.50
Rot. Bonds6

About 1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one

1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one (PubChem CID 163824357) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one
PubChem CID163824357
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one
SMILESCC(CC(C)N1CCCC1=O)SCCO
InChIInChI=1S/C11H21NO2S/c1-9(8-10(2)15-7-6-13)12-5-3-4-11(12)14/h9-10,13H,3-8H2,1-2H3
InChIKeyNYDJNEZLBXLVBT-UHFFFAOYSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one (CID 163824357) is 1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one is CC(CC(C)N1CCCC1=O)SCCO.
What is the InChIKey of 1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one?
The InChIKey is NYDJNEZLBXLVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9(8-10(2)15-7-6-13)12-5-3-4-11(12)14/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one?
1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one has a molecular weight of 231.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 163824357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).