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

C12H14FNOS — CID 39965228

IUPAC2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccccc1F)N1CCCC1
InChIInChI=1S/C12H14FNOS/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
InChIKeySVMRUIBKFSHXCV-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.54
Rot. Bonds3

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

2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 39965228) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID39965228
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccccc1F)N1CCCC1
InChIInChI=1S/C12H14FNOS/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
InChIKeySVMRUIBKFSHXCV-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63308316
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2341550
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-fluorophenyl)sulfanylethanone
CID 106671689
1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63581145
2-(4-amino-2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone
CID 43303800
1-[2-(2-fluorophenyl)sulfanylacetyl]-1,4-diazepan-5-one
CID 62045555
N-[2-(2-fluorophenyl)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 39713947
2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanylbenzoic acid
CID 43351408
2-(2-fluorophenyl)sulfanyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55359683
2-(2-amino-4-fluorophenyl)sulfanyl-1-(azocan-1-yl)ethanone
CID 43304171
N-(3-aminopropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide;hydrochloride
CID 119407692
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 39965228) is 2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone is O=C(CSc1ccccc1F)N1CCCC1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is SVMRUIBKFSHXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNOS/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-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 239.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 39965228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).