2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone

C15H18FNOS — CID 135105038

IUPAC2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone
SMILESO=C(CSCC1CC1)N1CCC1c1ccc(F)cc1
InChIInChI=1S/C15H18FNOS/c16-13-5-3-12(4-6-13)14-7-8-17(14)15(18)10-19-9-11-1-2-11/h3-6,11,14H,1-2,7-10H2
InChIKeyXZCZLJRIACVENR-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.24
Rot. Bonds5

About 2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone

2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone (PubChem CID 135105038) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone
PubChem CID135105038
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone
SMILESO=C(CSCC1CC1)N1CCC1c1ccc(F)cc1
InChIInChI=1S/C15H18FNOS/c16-13-5-3-12(4-6-13)14-7-8-17(14)15(18)10-19-9-11-1-2-11/h3-6,11,14H,1-2,7-10H2
InChIKeyXZCZLJRIACVENR-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 97128985
1-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 124749524
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 96578697
cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97149488
2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97122736
2-chloro-1-[5-(4-fluorophenyl)-1,4-oxazepan-4-yl]ethanone
CID 166410704
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119699976
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone
CID 131938463
5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 99788500
3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one
CID 124890583

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone (CID 135105038) is 2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone is O=C(CSCC1CC1)N1CCC1c1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone?
The InChIKey is XZCZLJRIACVENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c16-13-5-3-12(4-6-13)14-7-8-17(14)15(18)10-19-9-11-1-2-11/h3-6,11,14H,1-2,7-10H2.
What are the key properties of 2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone?
2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone has a molecular weight of 279.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 135105038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).