(2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone

C16H20FNOS — CID 107027342

IUPAC(2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone
SMILESO=C(c1ccc(F)c(S)c1)N1CCCC1C1CCCC1
InChIInChI=1S/C16H20FNOS/c17-13-8-7-12(10-15(13)20)16(19)18-9-3-6-14(18)11-4-1-2-5-11/h7-8,10-11,14,20H,1-6,9H2
InChIKeyLBDMBPOFCQMGSI-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.91
Rot. Bonds2

About (2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone

(2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone (PubChem CID 107027342) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is (2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone.

Molecular Properties

Compound Name(2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone
PubChem CID107027342
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC Name(2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone
SMILESO=C(c1ccc(F)c(S)c1)N1CCCC1C1CCCC1
InChIInChI=1S/C16H20FNOS/c17-13-8-7-12(10-15(13)20)16(19)18-9-3-6-14(18)11-4-1-2-5-11/h7-8,10-11,14,20H,1-6,9H2
InChIKeyLBDMBPOFCQMGSI-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 60589048
1-(4-fluoro-3-sulfanylbenzoyl)pyrrolidine-2-carboxamide
CID 107021942
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-sulfanylphenyl)methanone
CID 107031199
(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone
CID 110871773
(2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951831
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-chloro-4-hydroxyphenyl)methanone
CID 43422703
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-amino-3-hydroxyphenyl)methanone
CID 102739427
(2-cyclopentylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63978793
1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone
CID 95334900
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-aminophenyl)methanone
CID 90935623
4-[(2S)-2-cyclobutylpyrrolidine-1-carbonyl]benzoic acid
CID 124701022
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63979551

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone?
The IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone (CID 107027342) is (2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone.
What is the SMILES notation for (2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone?
The canonical SMILES for (2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone is O=C(c1ccc(F)c(S)c1)N1CCCC1C1CCCC1.
What is the InChIKey of (2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone?
The InChIKey is LBDMBPOFCQMGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c17-13-8-7-12(10-15(13)20)16(19)18-9-3-6-14(18)11-4-1-2-5-11/h7-8,10-11,14,20H,1-6,9H2.
What are the key properties of (2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone?
(2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone has a molecular weight of 293.41 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone is sourced from PubChem (CID 107027342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).