1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one

C14H18FNOS — CID 139017187

IUPAC1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCSCc1ccccc1F
InChIInChI=1S/C14H18FNOS/c15-13-6-2-1-5-12(13)11-18-10-4-9-16-8-3-7-14(16)17/h1-2,5-6H,3-4,7-11H2
InChIKeySDASVCZXTMBUFW-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.07
Rot. Bonds6

About 1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one

1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one (PubChem CID 139017187) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one
PubChem CID139017187
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCSCc1ccccc1F
InChIInChI=1S/C14H18FNOS/c15-13-6-2-1-5-12(13)11-18-10-4-9-16-8-3-7-14(16)17/h1-2,5-6H,3-4,7-11H2
InChIKeySDASVCZXTMBUFW-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520387
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111147007
1-[3-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 66534802
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490231
1-[3-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211958
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
1-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100622499
1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211895
2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]benzoic acid
CID 17212317
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[2-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 11245857
1-(2-fluorophenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea
CID 8727937

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one (CID 139017187) is 1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one is O=C1CCCN1CCCSCc1ccccc1F.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one?
The InChIKey is SDASVCZXTMBUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c15-13-6-2-1-5-12(13)11-18-10-4-9-16-8-3-7-14(16)17/h1-2,5-6H,3-4,7-11H2.
What are the key properties of 1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one?
1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one has a molecular weight of 267.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 139017187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).