(2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one

C10H17NO2S2 — CID 135055409

IUPAC(2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one
SMILESCCC[C@H](O)[C@@H](C)C(=O)N1CCSC1=S
InChIInChI=1S/C10H17NO2S2/c1-3-4-8(12)7(2)9(13)11-5-6-15-10(11)14/h7-8,12H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyPMUQDKGCJUMECH-SFYZADRCSA-N
MW247.38 g/mol
LogP1.64
Rot. Bonds4

About (2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one

(2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one (PubChem CID 135055409) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one
PubChem CID135055409
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC Name(2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one
SMILESCCC[C@H](O)[C@@H](C)C(=O)N1CCSC1=S
InChIInChI=1S/C10H17NO2S2/c1-3-4-8(12)7(2)9(13)11-5-6-15-10(11)14/h7-8,12H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyPMUQDKGCJUMECH-SFYZADRCSA-N
XLogP1.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-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

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one?
The IUPAC name of (2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one (CID 135055409) is (2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one?
The canonical SMILES for (2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one is CCC[C@H](O)[C@@H](C)C(=O)N1CCSC1=S.
What is the InChIKey of (2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one?
The InChIKey is PMUQDKGCJUMECH-SFYZADRCSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-3-4-8(12)7(2)9(13)11-5-6-15-10(11)14/h7-8,12H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one?
(2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one has a molecular weight of 247.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one is sourced from PubChem (CID 135055409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).