4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide

C10H20O3S — CID 118230654

IUPAC4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide
SMILESCC(C)(C)OCC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20O3S/c1-10(2,3)13-8-9-4-6-14(11,12)7-5-9/h9H,4-8H2,1-3H3
InChIKeyKCNKHLQFBGRKHQ-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.63
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide

4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide (PubChem CID 118230654) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide
PubChem CID118230654
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide
SMILESCC(C)(C)OCC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20O3S/c1-10(2,3)13-8-9-4-6-14(11,12)7-5-9/h9H,4-8H2,1-3H3
InChIKeyKCNKHLQFBGRKHQ-UHFFFAOYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide (CID 118230654) is 4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide is CC(C)(C)OCC1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide?
The InChIKey is KCNKHLQFBGRKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-10(2,3)13-8-9-4-6-14(11,12)7-5-9/h9H,4-8H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide?
4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide has a molecular weight of 220.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxymethyl]thiane 1,1-dioxide is sourced from PubChem (CID 118230654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).