2-propan-2-yloxythiolane 1,1-dioxide

C7H14O3S — CID 18508821

IUPAC2-propan-2-yloxythiolane 1,1-dioxide
SMILESCC(C)OC1CCCS1(=O)=O
InChIInChI=1S/C7H14O3S/c1-6(2)10-7-4-3-5-11(7,8)9/h6-7H,3-5H2,1-2H3
InChIKeySPYFMVRLBTWMSM-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.95
Rot. Bonds2

About 2-propan-2-yloxythiolane 1,1-dioxide

2-propan-2-yloxythiolane 1,1-dioxide (PubChem CID 18508821) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 2-propan-2-yloxythiolane 1,1-dioxide.

Molecular Properties

Compound Name2-propan-2-yloxythiolane 1,1-dioxide
PubChem CID18508821
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name2-propan-2-yloxythiolane 1,1-dioxide
SMILESCC(C)OC1CCCS1(=O)=O
InChIInChI=1S/C7H14O3S/c1-6(2)10-7-4-3-5-11(7,8)9/h6-7H,3-5H2,1-2H3
InChIKeySPYFMVRLBTWMSM-UHFFFAOYSA-N
XLogP0.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxythiolane 1,1-dioxide?
The IUPAC name of 2-propan-2-yloxythiolane 1,1-dioxide (CID 18508821) is 2-propan-2-yloxythiolane 1,1-dioxide.
What is the SMILES notation for 2-propan-2-yloxythiolane 1,1-dioxide?
The canonical SMILES for 2-propan-2-yloxythiolane 1,1-dioxide is CC(C)OC1CCCS1(=O)=O.
What is the InChIKey of 2-propan-2-yloxythiolane 1,1-dioxide?
The InChIKey is SPYFMVRLBTWMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-6(2)10-7-4-3-5-11(7,8)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yloxythiolane 1,1-dioxide?
2-propan-2-yloxythiolane 1,1-dioxide has a molecular weight of 178.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxythiolane 1,1-dioxide is sourced from PubChem (CID 18508821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).