3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one

C10H20N2O2S — CID 106310259

IUPAC3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCCSCCCO)C1=O
InChIInChI=1S/C10H20N2O2S/c1-12-5-3-9(10(12)14)11-4-8-15-7-2-6-13/h9,11,13H,2-8H2,1H3
InChIKeyYPLGJOZHXYMZPC-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.08
Rot. Bonds7

About 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one

3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one (PubChem CID 106310259) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one
PubChem CID106310259
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCCSCCCO)C1=O
InChIInChI=1S/C10H20N2O2S/c1-12-5-3-9(10(12)14)11-4-8-15-7-2-6-13/h9,11,13H,2-8H2,1H3
InChIKeyYPLGJOZHXYMZPC-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

3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one
CID 107851756
5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide
CID 106237309
1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 106305751
1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106305745
1-methyl-3-(3-propoxypropylamino)pyrrolidin-2-one
CID 82944318
5-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106259293
1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one
CID 114171183
3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one
CID 106246688
3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one
CID 106133454
1-methyl-3-(2-methylidenebutylamino)pyrrolidin-2-one
CID 106256749
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one
CID 106256623

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one (CID 106310259) is 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one is CN1CCC(NCCSCCCO)C1=O.
What is the InChIKey of 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one?
The InChIKey is YPLGJOZHXYMZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-12-5-3-9(10(12)14)11-4-8-15-7-2-6-13/h9,11,13H,2-8H2,1H3.
What are the key properties of 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one?
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-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 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106310259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).