1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one

C10H20N2O2S — CID 106305751

IUPAC1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(CCSCCCO)C1=O
InChIInChI=1S/C10H20N2O2S/c1-11-9-3-4-12(10(9)14)5-8-15-7-2-6-13/h9,11,13H,2-8H2,1H3
InChIKeyQLRCDQIBPDZDOS-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.08
Rot. Bonds7

About 1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one

1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one (PubChem CID 106305751) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one
PubChem CID106305751
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(CCSCCCO)C1=O
InChIInChI=1S/C10H20N2O2S/c1-11-9-3-4-12(10(9)14)5-8-15-7-2-6-13/h9,11,13H,2-8H2,1H3
InChIKeyQLRCDQIBPDZDOS-UHFFFAOYSA-N
XLogP-0.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 13048739
N-(N-Acetyl-S-ethyl-L-cysteinyl)pyrrolidine
CID 13048740
N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 18961028
1-[4-(Hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
CID 20699060
(4R)-N-(4-Hydroxybutyl)-2-oxothiazolidine-4-carboxamide
CID 54320074
(2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide
CID 58814794
(4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 67796187
(2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 68863270
2-acetamido-N-(2-hydroxyethyl)-3-[1-[3-(2-hydroxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide
CID 70794464
(2S)-2-(3-hydroxypropanoylamino)-4-methylsulfanylbutanamide
CID 89749831
5-Hydroxy-1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one
CID 91069921
5-Hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one
CID 91222267

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one (CID 106305751) is 1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one is CNC1CCN(CCSCCCO)C1=O.
What is the InChIKey of 1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one?
The InChIKey is QLRCDQIBPDZDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-11-9-3-4-12(10(9)14)5-8-15-7-2-6-13/h9,11,13H,2-8H2,1H3.
What are the key properties of 1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one?
1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one has a molecular weight of 232.35 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 106305751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).