3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C13H18ClFN2OS — CID 119452021

IUPAC3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCl.O=C(CCSc1ccccc1F)NC1CCNC1
InChIInChI=1S/C13H17FN2OS.ClH/c14-11-3-1-2-4-12(11)18-8-6-13(17)16-10-5-7-15-9-10;/h1-4,10,15H,5-9H2,(H,16,17);1H
InChIKeyKHQFRGGFPTWLGO-UHFFFAOYSA-N
MW304.82 g/mol
LogP2.21
Rot. Bonds5

About 3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119452021) has the molecular formula C13H18ClFN2OS and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119452021
Molecular FormulaC13H18ClFN2OS
Molecular Weight304.82 g/mol
Exact Mass304.08
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCl.O=C(CCSc1ccccc1F)NC1CCNC1
InChIInChI=1S/C13H17FN2OS.ClH/c14-11-3-1-2-4-12(11)18-8-6-13(17)16-10-5-7-15-9-10;/h1-4,10,15H,5-9H2,(H,16,17);1H
InChIKeyKHQFRGGFPTWLGO-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119453174
3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119425746
3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide
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N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 47012967
3-(2-fluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)propanamide
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3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 104927361
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451502
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 18096155
2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 55068411
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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119452021) is 3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is Cl.O=C(CCSc1ccccc1F)NC1CCNC1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is KHQFRGGFPTWLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS.ClH/c14-11-3-1-2-4-12(11)18-8-6-13(17)16-10-5-7-15-9-10;/h1-4,10,15H,5-9H2,(H,16,17);1H.
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119452021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).