(2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one

C7H12O2S2 — CID 11367539

IUPAC(2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one
SMILESCS[C@]1([S@](C)=O)CCCC1=O
InChIInChI=1S/C7H12O2S2/c1-10-7(11(2)9)5-3-4-6(7)8/h3-5H2,1-2H3/t7-,11-/m0/s1
InChIKeySCNILXFVLWQARR-CPCISQLKSA-N
MW192.30 g/mol
LogP1.18
Rot. Bonds2

About (2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one

(2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one (PubChem CID 11367539) has the molecular formula C7H12O2S2 and a molecular weight of 192.30 g/mol. Its IUPAC name is (2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one
PubChem CID11367539
Molecular FormulaC7H12O2S2
Molecular Weight192.30 g/mol
Exact Mass192.03
IUPAC Name(2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one
SMILESCS[C@]1([S@](C)=O)CCCC1=O
InChIInChI=1S/C7H12O2S2/c1-10-7(11(2)9)5-3-4-6(7)8/h3-5H2,1-2H3/t7-,11-/m0/s1
InChIKeySCNILXFVLWQARR-CPCISQLKSA-N
XLogP1.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one?
The IUPAC name of (2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one (CID 11367539) is (2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one.
What is the SMILES notation for (2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one?
The canonical SMILES for (2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one is CS[C@]1([S@](C)=O)CCCC1=O.
What is the InChIKey of (2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one?
The InChIKey is SCNILXFVLWQARR-CPCISQLKSA-N. The full InChI is InChI=1S/C7H12O2S2/c1-10-7(11(2)9)5-3-4-6(7)8/h3-5H2,1-2H3/t7-,11-/m0/s1.
What are the key properties of (2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one?
(2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one has a molecular weight of 192.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one is sourced from PubChem (CID 11367539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).