1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one

C11H15NO2S — CID 71857986

IUPAC1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)N1CC[C@H](O)C1)c1ccsc1
InChIInChI=1S/C11H15NO2S/c1-8(9-3-5-15-7-9)11(14)12-4-2-10(13)6-12/h3,5,7-8,10,13H,2,4,6H2,1H3/t8?,10-/m0/s1
InChIKeyWRBJVMWKKOCQKY-HTLJXXAVSA-N
MW225.31 g/mol
LogP1.44
Rot. Bonds2

About 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one

1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one (PubChem CID 71857986) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
PubChem CID71857986
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)N1CC[C@H](O)C1)c1ccsc1
InChIInChI=1S/C11H15NO2S/c1-8(9-3-5-15-7-9)11(14)12-4-2-10(13)6-12/h3,5,7-8,10,13H,2,4,6H2,1H3/t8?,10-/m0/s1
InChIKeyWRBJVMWKKOCQKY-HTLJXXAVSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 137648267
1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 137655034
1-[2-(Hydroxymethyl)-2-propyl-1-pyrrolidinyl]-2-(3-thienyl)-1-ethanone
CID 71830238
1-[2-(Hydroxymethyl)-2-methyl-1-pyrrolidinyl]-2-(3-thienyl)-1-ethanone
CID 71830253
1-(3-(Cyclopropylmethoxy)pyrrolidin-1-yl)-2-(thiophen-3-yl)ethanone
CID 121197565
(3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260473
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 71857990
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide
CID 75378561
N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide
CID 75430621
1-[3-(1-Acetylpiperidin-4-YL)-4-(hydroxymethyl)pyrrolidin-1-YL]-2-(thiophen-3-YL)ethan-1-one
CID 132339130
1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one
CID 164635147
(3R,4R)-4-propan-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxylic acid
CID 164643027

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one (CID 71857986) is 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one is CC(C(=O)N1CC[C@H](O)C1)c1ccsc1.
What is the InChIKey of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one?
The InChIKey is WRBJVMWKKOCQKY-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(9-3-5-15-7-9)11(14)12-4-2-10(13)6-12/h3,5,7-8,10,13H,2,4,6H2,1H3/t8?,10-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one?
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one has a molecular weight of 225.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 71857986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).