2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one

C10H15NO3S — CID 20615797

IUPAC2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one
SMILESCC1(O)CC(N2CCSCC2)=C(O)C1=O
InChIInChI=1S/C10H15NO3S/c1-10(14)6-7(8(12)9(10)13)11-2-4-15-5-3-11/h12,14H,2-6H2,1H3
InChIKeyPPBYIQLPNLZGCD-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.53
Rot. Bonds1

About 2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one

2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one (PubChem CID 20615797) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one
PubChem CID20615797
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one
SMILESCC1(O)CC(N2CCSCC2)=C(O)C1=O
InChIInChI=1S/C10H15NO3S/c1-10(14)6-7(8(12)9(10)13)11-2-4-15-5-3-11/h12,14H,2-6H2,1H3
InChIKeyPPBYIQLPNLZGCD-UHFFFAOYSA-N
XLogP0.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cyclopenten-1-one, 2,5-dihydroxy-5-methyl-3-(1-piperidinyl)-
CID 118168
2,5-Dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one
CID 22890056
(5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
CID 92855416
3-[Ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one
CID 118934643
2-Hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
CID 121002755

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one?
The IUPAC name of 2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one (CID 20615797) is 2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one.
What is the SMILES notation for 2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one?
The canonical SMILES for 2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one is CC1(O)CC(N2CCSCC2)=C(O)C1=O.
What is the InChIKey of 2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one?
The InChIKey is PPBYIQLPNLZGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-10(14)6-7(8(12)9(10)13)11-2-4-15-5-3-11/h12,14H,2-6H2,1H3.
What are the key properties of 2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one?
2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one has a molecular weight of 229.30 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-5-methyl-3-thiomorpholin-4-ylcyclopent-2-en-1-one is sourced from PubChem (CID 20615797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).