(2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one

C10H18O4S2 — CID 100920887

IUPAC(2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one
SMILESCC[C@@]1(C(=O)[C@@H](O)[C@@H](C)O)SCCCS1=O
InChIInChI=1S/C10H18O4S2/c1-3-10(9(13)8(12)7(2)11)15-5-4-6-16(10)14/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,10-,16?/m1/s1
InChIKeyOOUJAOKPYSOLCN-PYKUJJJESA-N
MW266.38 g/mol
LogP0.29
Rot. Bonds4

About (2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one

(2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one (PubChem CID 100920887) has the molecular formula C10H18O4S2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one.

Molecular Properties

Compound Name(2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one
PubChem CID100920887
Molecular FormulaC10H18O4S2
Molecular Weight266.38 g/mol
Exact Mass266.06
IUPAC Name(2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one
SMILESCC[C@@]1(C(=O)[C@@H](O)[C@@H](C)O)SCCCS1=O
InChIInChI=1S/C10H18O4S2/c1-3-10(9(13)8(12)7(2)11)15-5-4-6-16(10)14/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,10-,16?/m1/s1
InChIKeyOOUJAOKPYSOLCN-PYKUJJJESA-N
XLogP0.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-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

(3S,4R)-5-(1,3-dithian-2-yl)-1,3,4-trihydroxypentan-2-one
CID 11010461
(2R,3S)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one
CID 100920870
(2S,3R)-2,3-dihydroxy-1-[(2S)-2-methyl-1-oxo-1,3-dithian-2-yl]butan-1-one
CID 100920885
(2R,3S)-2,3-dihydroxy-1-[(2S)-2-methyl-1-oxo-1,3-dithian-2-yl]butan-1-one
CID 100920886

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one?
The IUPAC name of (2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one (CID 100920887) is (2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one.
What is the SMILES notation for (2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one?
The canonical SMILES for (2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one is CC[C@@]1(C(=O)[C@@H](O)[C@@H](C)O)SCCCS1=O.
What is the InChIKey of (2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one?
The InChIKey is OOUJAOKPYSOLCN-PYKUJJJESA-N. The full InChI is InChI=1S/C10H18O4S2/c1-3-10(9(13)8(12)7(2)11)15-5-4-6-16(10)14/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,10-,16?/m1/s1.
What are the key properties of (2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one?
(2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one has a molecular weight of 266.38 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-[(2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-2,3-dihydroxybutan-1-one is sourced from PubChem (CID 100920887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).