2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one

C13H21NO2S — CID 79547559

IUPAC2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCSCCC(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C13H21NO2S/c1-17-9-7-13(16)14-8-3-5-11(14)10-4-2-6-12(10)15/h10-11H,2-9H2,1H3
InChIKeyFBUGJPILPOQVEH-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.10
Rot. Bonds4

About 2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79547559) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79547559
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCSCCC(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C13H21NO2S/c1-17-9-7-13(16)14-8-3-5-11(14)10-4-2-6-12(10)15/h10-11H,2-9H2,1H3
InChIKeyFBUGJPILPOQVEH-UHFFFAOYSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one
CID 79544925
2-(1-butanoylpiperidin-2-yl)cyclopentan-1-one
CID 79545289
2-(1-octanoylpyrrolidin-2-yl)cyclopentan-1-one
CID 79548429
2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539486
2-(1-octanoylpyrrolidin-2-yl)cyclohexan-1-one
CID 79539477
2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one
CID 79553408
2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 103874951
2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79544313
2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one
CID 103020598
N,N-dimethyl-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79544614
2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 115870238
2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one
CID 103556715

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79547559) is 2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one is CSCCC(=O)N1CCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is FBUGJPILPOQVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-17-9-7-13(16)14-8-3-5-11(14)10-4-2-6-12(10)15/h10-11H,2-9H2,1H3.
What are the key properties of 2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 255.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79547559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).