[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone

C11H19NO2S — CID 102738003

IUPAC[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone
SMILESCC1CCN(C(=O)C2CCCS2)C1CO
InChIInChI=1S/C11H19NO2S/c1-8-4-5-12(9(8)7-13)11(14)10-3-2-6-15-10/h8-10,13H,2-7H2,1H3
InChIKeyXFTXOKOIUASRIJ-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.11
Rot. Bonds2

About [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone

[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone (PubChem CID 102738003) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone
PubChem CID102738003
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone
SMILESCC1CCN(C(=O)C2CCCS2)C1CO
InChIInChI=1S/C11H19NO2S/c1-8-4-5-12(9(8)7-13)11(14)10-3-2-6-15-10/h8-10,13H,2-7H2,1H3
InChIKeyXFTXOKOIUASRIJ-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 102737904
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 102737927
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 102780530
(2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780572
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 102784452
(4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780576
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102738499
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102893952
(5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 102737963

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone (CID 102738003) is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone is CC1CCN(C(=O)C2CCCS2)C1CO.
What is the InChIKey of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone?
The InChIKey is XFTXOKOIUASRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-8-4-5-12(9(8)7-13)11(14)10-3-2-6-15-10/h8-10,13H,2-7H2,1H3.
What are the key properties of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone?
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone has a molecular weight of 229.34 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone is sourced from PubChem (CID 102738003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).