(3R)-3-phenylsulfanylcyclopentan-1-one

C11H12OS — CID 71347132

IUPAC(3R)-3-phenylsulfanylcyclopentan-1-one
SMILESO=C1CC[C@@H](Sc2ccccc2)C1
InChIInChI=1S/C11H12OS/c12-9-6-7-11(8-9)13-10-4-2-1-3-5-10/h1-5,11H,6-8H2/t11-/m1/s1
InChIKeyZNDRUNFYLFHRGD-LLVKDONJSA-N
MW192.28 g/mol
LogP2.90
Rot. Bonds2

About (3R)-3-phenylsulfanylcyclopentan-1-one

(3R)-3-phenylsulfanylcyclopentan-1-one (PubChem CID 71347132) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is (3R)-3-phenylsulfanylcyclopentan-1-one.

Molecular Properties

Compound Name(3R)-3-phenylsulfanylcyclopentan-1-one
PubChem CID71347132
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name(3R)-3-phenylsulfanylcyclopentan-1-one
SMILESO=C1CC[C@@H](Sc2ccccc2)C1
InChIInChI=1S/C11H12OS/c12-9-6-7-11(8-9)13-10-4-2-1-3-5-10/h1-5,11H,6-8H2/t11-/m1/s1
InChIKeyZNDRUNFYLFHRGD-LLVKDONJSA-N
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenylsulfanylcyclopentan-1-one?
The IUPAC name of (3R)-3-phenylsulfanylcyclopentan-1-one (CID 71347132) is (3R)-3-phenylsulfanylcyclopentan-1-one.
What is the SMILES notation for (3R)-3-phenylsulfanylcyclopentan-1-one?
The canonical SMILES for (3R)-3-phenylsulfanylcyclopentan-1-one is O=C1CC[C@@H](Sc2ccccc2)C1.
What is the InChIKey of (3R)-3-phenylsulfanylcyclopentan-1-one?
The InChIKey is ZNDRUNFYLFHRGD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12OS/c12-9-6-7-11(8-9)13-10-4-2-1-3-5-10/h1-5,11H,6-8H2/t11-/m1/s1.
What are the key properties of (3R)-3-phenylsulfanylcyclopentan-1-one?
(3R)-3-phenylsulfanylcyclopentan-1-one has a molecular weight of 192.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenylsulfanylcyclopentan-1-one is sourced from PubChem (CID 71347132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).