2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol

C12H19NOS — CID 106639830

IUPAC2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol
SMILESCCc1ccc(CC(O)C2CCCN2)s1
InChIInChI=1S/C12H19NOS/c1-2-9-5-6-10(15-9)8-12(14)11-4-3-7-13-11/h5-6,11-14H,2-4,7-8H2,1H3
InChIKeyYKCRPXYEZUDNBH-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.97
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol

2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol (PubChem CID 106639830) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol
PubChem CID106639830
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol
SMILESCCc1ccc(CC(O)C2CCCN2)s1
InChIInChI=1S/C12H19NOS/c1-2-9-5-6-10(15-9)8-12(14)11-4-3-7-13-11/h5-6,11-14H,2-4,7-8H2,1H3
InChIKeyYKCRPXYEZUDNBH-UHFFFAOYSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639985
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanol
CID 64986887
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 107192144
2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine
CID 104703801
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-2-ylethanol
CID 106634659
(1R)-2-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485490
1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol
CID 164654104
2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol
CID 106640010
1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 115386540
2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol
CID 142625617
2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 82080040

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol (CID 106639830) is 2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol is CCc1ccc(CC(O)C2CCCN2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol?
The InChIKey is YKCRPXYEZUDNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-9-5-6-10(15-9)8-12(14)11-4-3-7-13-11/h5-6,11-14H,2-4,7-8H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol?
2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol has a molecular weight of 225.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 106639830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).