1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol

C13H19NOS — CID 82116962

IUPAC1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
SMILESOC(CN1CCCC1)(c1cccs1)C1CC1
InChIInChI=1S/C13H19NOS/c15-13(11-5-6-11,12-4-3-9-16-12)10-14-7-1-2-8-14/h3-4,9,11,15H,1-2,5-8,10H2
InChIKeyIJKAPUIQZLHFDV-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.44
Rot. Bonds4

About 1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol

1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol (PubChem CID 82116962) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
PubChem CID82116962
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
SMILESOC(CN1CCCC1)(c1cccs1)C1CC1
InChIInChI=1S/C13H19NOS/c15-13(11-5-6-11,12-4-3-9-16-12)10-14-7-1-2-8-14/h3-4,9,11,15H,1-2,5-8,10H2
InChIKeyIJKAPUIQZLHFDV-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 95982762
N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 99873674
1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 95982777
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide
CID 71781709
1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol
CID 64749351
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71781727
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90497105
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 90496987
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
CID 90496997
1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol
CID 70385276
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-methylphenoxy)acetamide
CID 90497022
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 90497058

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol?
The IUPAC name of 1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol (CID 82116962) is 1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol?
The canonical SMILES for 1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol is OC(CN1CCCC1)(c1cccs1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol?
The InChIKey is IJKAPUIQZLHFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c15-13(11-5-6-11,12-4-3-9-16-12)10-14-7-1-2-8-14/h3-4,9,11,15H,1-2,5-8,10H2.
What are the key properties of 1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol?
1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol has a molecular weight of 237.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-pyrrolidin-1-yl-1-thiophen-2-ylethanol is sourced from PubChem (CID 82116962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).