(2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide

C6H10O2S — CID 134887359

IUPAC(2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide
SMILESC[C@@H]1C=C[C@H](C)S1(=O)=O
InChIInChI=1S/C6H10O2S/c1-5-3-4-6(2)9(5,7)8/h3-6H,1-2H3/t5-,6+
InChIKeyMDIIFXJFUPEKHP-OLQVQODUSA-N
MW146.21 g/mol
LogP0.75
Rot. Bonds

About (2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide

(2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 134887359) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide
PubChem CID134887359
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name(2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide
SMILESC[C@@H]1C=C[C@H](C)S1(=O)=O
InChIInChI=1S/C6H10O2S/c1-5-3-4-6(2)9(5,7)8/h3-6H,1-2H3/t5-,6+
InChIKeyMDIIFXJFUPEKHP-OLQVQODUSA-N
XLogP0.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of (2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide (CID 134887359) is (2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for (2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for (2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide is C[C@@H]1C=C[C@H](C)S1(=O)=O.
What is the InChIKey of (2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is MDIIFXJFUPEKHP-OLQVQODUSA-N. The full InChI is InChI=1S/C6H10O2S/c1-5-3-4-6(2)9(5,7)8/h3-6H,1-2H3/t5-,6+.
What are the key properties of (2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
(2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide has a molecular weight of 146.21 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 134887359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).