(3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol

C5H10O5S2 — CID 2317794

IUPAC(3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol
SMILESCS(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C5H10O5S2/c1-11(7,8)5-3-12(9,10)2-4(5)6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyXLOUZKLQIAFCNQ-UHNVWZDZSA-N
MW214.26 g/mol
LogP-1.81
Rot. Bonds1

About (3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol

(3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol (PubChem CID 2317794) has the molecular formula C5H10O5S2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol
PubChem CID2317794
Molecular FormulaC5H10O5S2
Molecular Weight214.26 g/mol
Exact Mass214.00
IUPAC Name(3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol
SMILESCS(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C5H10O5S2/c1-11(7,8)5-3-12(9,10)2-4(5)6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyXLOUZKLQIAFCNQ-UHNVWZDZSA-N
XLogP-1.81
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-1.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-hydroxy-1,1-dioxothiolane-3-sulfonate
CID 7102151
4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride
CID 4914839
(3S,4S)-1,1-dioxothiolane-3,4-diol
CID 7059048
1,1-dioxo-4-pentylsulfonylthiolan-3-ol
CID 3053238
4-[(2-methyl-2-methylsulfonylpropyl)amino]-1,1-dioxothiolan-3-ol
CID 79552365
N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide
CID 60884251
(3S,4S)-1,1-dioxo-4-sulfanylthiolane-3-sulfonic acid
CID 51414841
[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium
CID 7059078
(3S,4R)-4-amino-1,1-dioxothiolan-3-ol
CID 1380000
(3S,4S)-4-amino-1,1-dioxothiolane-3-sulfonic acid
CID 134811451
(3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol
CID 124931899
4-chloro-1,1-dioxothiolane-3-sulfonic acid
CID 75459709

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol?
The IUPAC name of (3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol (CID 2317794) is (3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol is CS(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol?
The InChIKey is XLOUZKLQIAFCNQ-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H10O5S2/c1-11(7,8)5-3-12(9,10)2-4(5)6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1.
What are the key properties of (3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol?
(3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol has a molecular weight of 214.26 g/mol, XLogP of -1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 2317794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).