3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol

C14H19NO2S — CID 114799675

IUPAC3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccsc1CN1CCC(CCO)C1
InChIInChI=1S/C14H19NO2S/c16-7-1-2-13-5-9-18-14(13)11-15-6-3-12(10-15)4-8-17/h5,9,12,16-17H,3-4,6-8,10-11H2
InChIKeySPDOFDCLHJSRAX-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.30
Rot. Bonds4

About 3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 114799675) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID114799675
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccsc1CN1CCC(CCO)C1
InChIInChI=1S/C14H19NO2S/c16-7-1-2-13-5-9-18-14(13)11-15-6-3-12(10-15)4-8-17/h5,9,12,16-17H,3-4,6-8,10-11H2
InChIKeySPDOFDCLHJSRAX-UHFFFAOYSA-N
XLogP1.30
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
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2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol
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1-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
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3-[2-[(4-methylazepan-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
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4-[2-[(3,4-dimethylpiperazin-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
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CID 83221661
4-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 62778177
3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol
CID 63026272
3-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol
CID 64577854

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 114799675) is 3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol is OCC#Cc1ccsc1CN1CCC(CCO)C1.
What is the InChIKey of 3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is SPDOFDCLHJSRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-7-1-2-13-5-9-18-14(13)11-15-6-3-12(10-15)4-8-17/h5,9,12,16-17H,3-4,6-8,10-11H2.
What are the key properties of 3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 265.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 114799675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).