2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one

C13H21NO2S — CID 79544925

IUPAC2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one
SMILESCSCC(=O)N1CCCCC1C1CCCC1=O
InChIInChI=1S/C13H21NO2S/c1-17-9-13(16)14-8-3-2-6-11(14)10-5-4-7-12(10)15/h10-11H,2-9H2,1H3
InChIKeyDPBHRTOIUSKQLE-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.10
Rot. Bonds3

About 2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one

2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one (PubChem CID 79544925) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one
PubChem CID79544925
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one
SMILESCSCC(=O)N1CCCCC1C1CCCC1=O
InChIInChI=1S/C13H21NO2S/c1-17-9-13(16)14-8-3-2-6-11(14)10-5-4-7-12(10)15/h10-11H,2-9H2,1H3
InChIKeyDPBHRTOIUSKQLE-UHFFFAOYSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one (CID 79544925) is 2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one is CSCC(=O)N1CCCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one?
The InChIKey is DPBHRTOIUSKQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-17-9-13(16)14-8-3-2-6-11(14)10-5-4-7-12(10)15/h10-11H,2-9H2,1H3.
What are the key properties of 2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one?
2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one has a molecular weight of 255.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79544925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).