2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone

C12H14ClNOS — CID 2341550

IUPAC2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccccc1Cl)N1CCCC1
InChIInChI=1S/C12H14ClNOS/c13-10-5-1-2-6-11(10)16-9-12(15)14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
InChIKeyGPMRAUGGTKRGFA-UHFFFAOYSA-N
MW255.77 g/mol
LogP3.05
Rot. Bonds3

About 2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone

2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 2341550) has the molecular formula C12H14ClNOS and a molecular weight of 255.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID2341550
Molecular FormulaC12H14ClNOS
Molecular Weight255.77 g/mol
Exact Mass255.05
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccccc1Cl)N1CCCC1
InChIInChI=1S/C12H14ClNOS/c13-10-5-1-2-6-11(10)16-9-12(15)14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
InChIKeyGPMRAUGGTKRGFA-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride
CID 119374934
2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 39965228
1-(azepan-1-yl)-2-(2,6-dichlorophenyl)sulfanylethanone
CID 112778036
2-(2-chlorophenyl)sulfanyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119544896
2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanylbenzoic acid
CID 43351408
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-chlorophenyl)sulfanylethanone;hydrochloride
CID 120657138
1-[2-(2-chlorophenyl)sulfanylacetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119308
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanimine
CID 66153926
(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 9199923
2-(2-chlorophenyl)sulfanyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 31742653
1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595208

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 2341550) is 2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone is O=C(CSc1ccccc1Cl)N1CCCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is GPMRAUGGTKRGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNOS/c13-10-5-1-2-6-11(10)16-9-12(15)14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 255.77 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 2341550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).