2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol

C15H25NO2S — CID 111858445

IUPAC2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
SMILESCC(C)OCCN1CCCC1CC(O)c1cccs1
InChIInChI=1S/C15H25NO2S/c1-12(2)18-9-8-16-7-3-5-13(16)11-14(17)15-6-4-10-19-15/h4,6,10,12-14,17H,3,5,7-9,11H2,1-2H3
InChIKeyMFGWMIWAZJXGEJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.06
Rot. Bonds7

About 2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol

2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol (PubChem CID 111858445) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
PubChem CID111858445
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
SMILESCC(C)OCCN1CCCC1CC(O)c1cccs1
InChIInChI=1S/C15H25NO2S/c1-12(2)18-9-8-16-7-3-5-13(16)11-14(17)15-6-4-10-19-15/h4,6,10,12-14,17H,3,5,7-9,11H2,1-2H3
InChIKeyMFGWMIWAZJXGEJ-UHFFFAOYSA-N
XLogP3.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol
CID 111858444
ethyl 3-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]propanoate
CID 111858454
4-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]butanoic acid
CID 119149321
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858547
(1S)-2-[(2R)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 125142004
N-ethyl-3-[2-(2-hydroxy-2-thiophen-2-ylethyl)azepan-1-yl]propanamide
CID 111858485
1-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 122137801
N-[2-[2-(2-hydroxy-2-thiophen-2-ylethyl)azepan-1-yl]ethyl]methanesulfonamide
CID 111858472
2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858466
3-[[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122029381
(1R)-2-[(2R)-1-(1,3-dioxolan-2-ylmethyl)azepan-2-yl]-1-thiophen-2-ylethanol
CID 97339166
tert-butyl 2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carboxylate
CID 115755561

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol (CID 111858445) is 2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol is CC(C)OCCN1CCCC1CC(O)c1cccs1.
What is the InChIKey of 2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol?
The InChIKey is MFGWMIWAZJXGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12(2)18-9-8-16-7-3-5-13(16)11-14(17)15-6-4-10-19-15/h4,6,10,12-14,17H,3,5,7-9,11H2,1-2H3.
What are the key properties of 2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol?
2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol has a molecular weight of 283.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol is sourced from PubChem (CID 111858445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).