2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone

C12H15NO2S — CID 61031200

IUPAC2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C12H15NO2S/c14-10-3-5-11(6-4-10)16-9-12(15)13-7-1-2-8-13/h3-6,14H,1-2,7-9H2
InChIKeyXRTGEUKUEYZKDX-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone

2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 61031200) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID61031200
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C12H15NO2S/c14-10-3-5-11(6-4-10)16-9-12(15)13-7-1-2-8-13/h3-6,14H,1-2,7-9H2
InChIKeyXRTGEUKUEYZKDX-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 54911266
4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoic acid
CID 16791377
4-[2-(azocan-1-yl)-2-oxoethyl]sulfanylbenzoic acid
CID 43242305
2-[4-(hydroxymethyl)phenyl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 113371968
1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 61030828
1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 56736237
2-(3,4-difluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 51073254
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylphenyl]butan-1-one
CID 82164633
2-(4-hydroxyphenyl)sulfanyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119543687
2-[4-[2-(4-nitrophenyl)sulfanylacetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 46817248
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
CID 60652389
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 78840834

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 61031200) is 2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone is O=C(CSc1ccc(O)cc1)N1CCCC1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is XRTGEUKUEYZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-10-3-5-11(6-4-10)16-9-12(15)13-7-1-2-8-13/h3-6,14H,1-2,7-9H2.
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 237.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 61031200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).