3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C13H18ClFN2OS — CID 119453174

IUPAC3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCl.O=C(CCSc1ccc(F)cc1)NC1CCNC1
InChIInChI=1S/C13H17FN2OS.ClH/c14-10-1-3-12(4-2-10)18-8-6-13(17)16-11-5-7-15-9-11;/h1-4,11,15H,5-9H2,(H,16,17);1H
InChIKeyDPBRQVJGZLBACB-UHFFFAOYSA-N
MW304.82 g/mol
LogP2.21
Rot. Bonds5

About 3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119453174) has the molecular formula C13H18ClFN2OS and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119453174
Molecular FormulaC13H18ClFN2OS
Molecular Weight304.82 g/mol
Exact Mass304.08
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCl.O=C(CCSc1ccc(F)cc1)NC1CCNC1
InChIInChI=1S/C13H17FN2OS.ClH/c14-10-1-3-12(4-2-10)18-8-6-13(17)16-11-5-7-15-9-11;/h1-4,11,15H,5-9H2,(H,16,17);1H
InChIKeyDPBRQVJGZLBACB-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

3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119452021
3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119424304
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyrrolidin-3-ylpropanamide
CID 119452447
3-(3,4-dimethylphenyl)sulfanyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389031
2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119388445
N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 51123737
2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide
CID 119427074
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388063
4-(4-fluorophenoxy)-N-piperidin-4-ylbutanamide
CID 110464778
3-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120811686
2-bromo-5-fluoro-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]benzamide;hydrochloride
CID 119452164
3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598283

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119453174) is 3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is Cl.O=C(CCSc1ccc(F)cc1)NC1CCNC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is DPBRQVJGZLBACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS.ClH/c14-10-1-3-12(4-2-10)18-8-6-13(17)16-11-5-7-15-9-11;/h1-4,11,15H,5-9H2,(H,16,17);1H.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(4-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-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119453174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).