1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol

C11H17NOS — CID 130826239

IUPAC1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol
SMILESCc1sccc1C(C)(O)C1CCCN1
InChIInChI=1S/C11H17NOS/c1-8-9(5-7-14-8)11(2,13)10-4-3-6-12-10/h5,7,10,12-13H,3-4,6H2,1-2H3
InChIKeyNOQWTPRQNNRECF-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.02
Rot. Bonds2

About 1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol

1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol (PubChem CID 130826239) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol
PubChem CID130826239
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol
SMILESCc1sccc1C(C)(O)C1CCCN1
InChIInChI=1S/C11H17NOS/c1-8-9(5-7-14-8)11(2,13)10-4-3-6-12-10/h5,7,10,12-13H,3-4,6H2,1-2H3
InChIKeyNOQWTPRQNNRECF-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141493
1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol
CID 114910656
1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82287159
1-[(2S)-pyrrolidin-2-yl]-1-(2,4,6-tritert-butylphenyl)ethanol
CID 138485654
1-(furan-3-yl)-1-pyrrolidin-2-ylethanol
CID 115467228
2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
CID 116839038
1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82305742
1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82291205
1-pyridin-2-yl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 177219789
4-(1-hydroxy-1-piperidin-2-ylethyl)phenol
CID 83075523

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol (CID 130826239) is 1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol is Cc1sccc1C(C)(O)C1CCCN1.
What is the InChIKey of 1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol?
The InChIKey is NOQWTPRQNNRECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-9(5-7-14-8)11(2,13)10-4-3-6-12-10/h5,7,10,12-13H,3-4,6H2,1-2H3.
What are the key properties of 1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol?
1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol has a molecular weight of 211.33 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 130826239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).