(5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one

C8H8O2S — CID 11389622

IUPAC(5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one
SMILESC[C@]1(O)Cc2ccsc2C1=O
InChIInChI=1S/C8H8O2S/c1-8(10)4-5-2-3-11-6(5)7(8)9/h2-3,10H,4H2,1H3/t8-/m0/s1
InChIKeyDUIITLACCKAUPF-QMMMGPOBSA-N
MW168.22 g/mol
LogP1.24
Rot. Bonds

About (5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one

(5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one (PubChem CID 11389622) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is (5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one.

Molecular Properties

Compound Name(5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one
PubChem CID11389622
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name(5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one
SMILESC[C@]1(O)Cc2ccsc2C1=O
InChIInChI=1S/C8H8O2S/c1-8(10)4-5-2-3-11-6(5)7(8)9/h2-3,10H,4H2,1H3/t8-/m0/s1
InChIKeyDUIITLACCKAUPF-QMMMGPOBSA-N
XLogP1.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one?
The IUPAC name of (5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one (CID 11389622) is (5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one.
What is the SMILES notation for (5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one?
The canonical SMILES for (5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one is C[C@]1(O)Cc2ccsc2C1=O.
What is the InChIKey of (5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one?
The InChIKey is DUIITLACCKAUPF-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H8O2S/c1-8(10)4-5-2-3-11-6(5)7(8)9/h2-3,10H,4H2,1H3/t8-/m0/s1.
What are the key properties of (5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one?
(5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one has a molecular weight of 168.22 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one is sourced from PubChem (CID 11389622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).