3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide

C7H14O3S — CID 171454190

IUPAC3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide
SMILESCC(C)(C)OC1CS(=O)(=O)C1
InChIInChI=1S/C7H14O3S/c1-7(2,3)10-6-4-11(8,9)5-6/h6H,4-5H2,1-3H3
InChIKeyBMGMJDKVRIPGTK-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.60
Rot. Bonds1

About 3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide

3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide (PubChem CID 171454190) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide
PubChem CID171454190
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide
SMILESCC(C)(C)OC1CS(=O)(=O)C1
InChIInChI=1S/C7H14O3S/c1-7(2,3)10-6-4-11(8,9)5-6/h6H,4-5H2,1-3H3
InChIKeyBMGMJDKVRIPGTK-UHFFFAOYSA-N
XLogP0.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166567369
4-tert-butyl-1,4-thiazinane 1,1-dioxide;methyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate
CID 157102605
methane;N-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 158877825
tert-butyl (3aR,6aS)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole-5-carboxylate
CID 66592416
1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine
CID 122502417
7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane
CID 14220126
1,1-dimethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-ium
CID 176587020
1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59522786
tert-butyl 3,3-dioxo-3λ6-thia-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 123868042
1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166559632
3-[4-(1,1-dioxothietan-3-yl)oxyphenyl]-3-methylbutanoic acid
CID 117480899
2-[3-chloro-4-(1,1-dioxothietan-3-yl)oxyphenyl]propan-2-amine
CID 117468044

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide (CID 171454190) is 3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide is CC(C)(C)OC1CS(=O)(=O)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide?
The InChIKey is BMGMJDKVRIPGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-7(2,3)10-6-4-11(8,9)5-6/h6H,4-5H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide?
3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide has a molecular weight of 178.25 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide is sourced from PubChem (CID 171454190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).