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

C6H10O2S — CID 134887498

IUPAC(2R,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-/m1/s1
InChIKeyMDIIFXJFUPEKHP-PHDIDXHHSA-N
MW146.21 g/mol
LogP0.75
Rot. Bonds

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

(2R,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 134887498) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is (2R,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name(2R,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide
PubChem CID134887498
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name(2R,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-/m1/s1
InChIKeyMDIIFXJFUPEKHP-PHDIDXHHSA-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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Related Compounds

Thiophene, 2,5-dihydro-2,4-dimethyl-, 1,1-dioxide
CID 24839
Thiophene, 2,5-dihydro-2-methyl-, 1,1-dioxide
CID 22330
3-Ethyl-2,5-dihydrothiophene 1,1-dioxide
CID 2724015
3,4-Dimethyl-2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
CID 6420227
(3S)-3-tert-butylsulfonylcyclopentene
CID 102116147
(E,4S)-4-tert-butylsulfonylpent-2-ene
CID 138969022
Thiophene, 2,3-dihydro-5-methyl-, 1,1-dioxide
CID 12266072
5-Isopropenyl-2,3-dihydrothiophene 1,1-dioxide
CID 14362067
Ethyl trans-but-2-enyl sulfone
CID 88206665
(3S)-3-[(2S)-but-3-en-2-yl]sulfonylbut-1-ene
CID 101805027
2-Hexenyl methyl sulfone
CID 129668047
Vinyl sulfolene
CID 129845775

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of (2R,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide (CID 134887498) is (2R,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for (2R,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for (2R,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 (2R,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is MDIIFXJFUPEKHP-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10O2S/c1-5-3-4-6(2)9(5,7)8/h3-6H,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2R,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
(2R,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 (2R,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 134887498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).