[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone

C11H19NO2S — CID 112627314

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone
SMILESCC(O)C1CCN(C(=O)C2CCSC2)C1
InChIInChI=1S/C11H19NO2S/c1-8(13)9-2-4-12(6-9)11(14)10-3-5-15-7-10/h8-10,13H,2-7H2,1H3
InChIKeyRDJORGPOYOKHGW-UHFFFAOYSA-N
MW229.34 g/mol
LogP0.97
Rot. Bonds2

About [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone (PubChem CID 112627314) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone
PubChem CID112627314
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone
SMILESCC(O)C1CCN(C(=O)C2CCSC2)C1
InChIInChI=1S/C11H19NO2S/c1-8(13)9-2-4-12(6-9)11(14)10-3-5-15-7-10/h8-10,13H,2-7H2,1H3
InChIKeyRDJORGPOYOKHGW-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 115966230
3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 112627138
[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629313
(3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone
CID 130744138
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
(2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625202
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 112624811
3-propan-2-yl-1-(thiolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 106982802
2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid
CID 112626900
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone (CID 112627314) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone is CC(O)C1CCN(C(=O)C2CCSC2)C1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone?
The InChIKey is RDJORGPOYOKHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-8(13)9-2-4-12(6-9)11(14)10-3-5-15-7-10/h8-10,13H,2-7H2,1H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone has a molecular weight of 229.34 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone is sourced from PubChem (CID 112627314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).