2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine

C17H25NS — CID 79315744

IUPAC2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine
SMILESc1ccc(SCCN2CCCC2C2CCCC2)cc1
InChIInChI=1S/C17H25NS/c1-2-9-16(10-3-1)19-14-13-18-12-6-11-17(18)15-7-4-5-8-15/h1-3,9-10,15,17H,4-8,11-14H2
InChIKeyVUNPLALEBKMZPS-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.43
Rot. Bonds5

About 2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine

2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine (PubChem CID 79315744) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine
PubChem CID79315744
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine
SMILESc1ccc(SCCN2CCCC2C2CCCC2)cc1
InChIInChI=1S/C17H25NS/c1-2-9-16(10-3-1)19-14-13-18-12-6-11-17(18)15-7-4-5-8-15/h1-3,9-10,15,17H,4-8,11-14H2
InChIKeyVUNPLALEBKMZPS-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde
CID 62654968
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol
CID 62613754
N-[[1-(2-phenylsulfanylethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 79222597
2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine
CID 79224416
[(2S)-1-(2-phenylsulfanylethyl)pyrrolidin-2-yl]methanesulfonamide
CID 95629781
benzene;2-[(2R)-2-cyclohexylpyrrolidin-1-yl]ethanol
CID 143494141
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-one
CID 62613737
2-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]isoindole-1,3-dione
CID 11930918
2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine
CID 79223831
2-methyl-1-(2-phenylsulfanylethyl)pyrrolidine-3-carboxylic acid
CID 79370157
2-(chloromethyl)-3-methyl-1-(2-phenylsulfanylethyl)pyrrolidine
CID 102784929
2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]aniline
CID 62495237

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine?
The IUPAC name of 2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine (CID 79315744) is 2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine.
What is the SMILES notation for 2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine?
The canonical SMILES for 2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine is c1ccc(SCCN2CCCC2C2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine?
The InChIKey is VUNPLALEBKMZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-2-9-16(10-3-1)19-14-13-18-12-6-11-17(18)15-7-4-5-8-15/h1-3,9-10,15,17H,4-8,11-14H2.
What are the key properties of 2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine?
2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine has a molecular weight of 275.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 79315744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).