(2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide

C5H8O2S — CID 51416653

IUPAC(2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide
SMILESC[C@@H]1C=CCS1(=O)=O
InChIInChI=1S/C5H8O2S/c1-5-3-2-4-8(5,6)7/h2-3,5H,4H2,1H3/t5-/m1/s1
InChIKeyGQKSMJWYXJEVRA-RXMQYKEDSA-N
MW132.18 g/mol
LogP0.36
Rot. Bonds

About (2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide

(2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 51416653) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is (2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name(2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide
PubChem CID51416653
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name(2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide
SMILESC[C@@H]1C=CCS1(=O)=O
InChIInChI=1S/C5H8O2S/c1-5-3-2-4-8(5,6)7/h2-3,5H,4H2,1H3/t5-/m1/s1
InChIKeyGQKSMJWYXJEVRA-RXMQYKEDSA-N
XLogP0.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.36
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 (2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of (2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide (CID 51416653) is (2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for (2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for (2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide is C[C@@H]1C=CCS1(=O)=O.
What is the InChIKey of (2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is GQKSMJWYXJEVRA-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H8O2S/c1-5-3-2-4-8(5,6)7/h2-3,5H,4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide?
(2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide has a molecular weight of 132.18 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 51416653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).