2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone

C12H21NOS — CID 100698504

IUPAC2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone
SMILESCS[C@@H]1CCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C12H21NOS/c1-15-11-6-7-13(9-11)12(14)8-10-4-2-3-5-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyQCPGMMJPECADLI-LLVKDONJSA-N
MW227.37 g/mol
LogP2.53
Rot. Bonds3

About 2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone (PubChem CID 100698504) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone
PubChem CID100698504
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone
SMILESCS[C@@H]1CCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C12H21NOS/c1-15-11-6-7-13(9-11)12(14)8-10-4-2-3-5-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyQCPGMMJPECADLI-LLVKDONJSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylpiperidin-1-yl)-2-cyclopentylethanone
CID 102961260
3,3-difluoro-1-(3-methylsulfanylpyrrolidin-1-yl)butan-1-one
CID 126793887
2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone
CID 90584553
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 119260296
1-[3-(2-chloroethyl)pyrrolidin-1-yl]-2-cyclopentylethanone
CID 114801292
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 170787386
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90616040
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106671365
2-cyclopentyl-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 121091445

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone (CID 100698504) is 2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone is CS[C@@H]1CCN(C(=O)CC2CCCC2)C1.
What is the InChIKey of 2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone?
The InChIKey is QCPGMMJPECADLI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21NOS/c1-15-11-6-7-13(9-11)12(14)8-10-4-2-3-5-10/h10-11H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone has a molecular weight of 227.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 100698504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).