3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide

C7H10O3S — CID 165489830

IUPAC3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CC(OC2CC2)C1
InChIInChI=1S/C7H10O3S/c8-11(9)4-3-7(5-11)10-6-1-2-6/h3-4,6-7H,1-2,5H2
InChIKeyITMQZGJKRSVISD-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.48
Rot. Bonds2

About 3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide

3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165489830) has the molecular formula C7H10O3S and a molecular weight of 174.22 g/mol. Its IUPAC name is 3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165489830
Molecular FormulaC7H10O3S
Molecular Weight174.22 g/mol
Exact Mass174.04
IUPAC Name3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CC(OC2CC2)C1
InChIInChI=1S/C7H10O3S/c8-11(9)4-3-7(5-11)10-6-1-2-6/h3-4,6-7H,1-2,5H2
InChIKeyITMQZGJKRSVISD-UHFFFAOYSA-N
XLogP0.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide (CID 165489830) is 3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide is O=S1(=O)C=CC(OC2CC2)C1.
What is the InChIKey of 3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is ITMQZGJKRSVISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3S/c8-11(9)4-3-7(5-11)10-6-1-2-6/h3-4,6-7H,1-2,5H2.
What are the key properties of 3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide?
3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 174.22 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165489830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).