4-(3-methylbutoxy)thiane 1,1-dioxide

C10H20O3S — CID 171837255

IUPAC4-(3-methylbutoxy)thiane 1,1-dioxide
SMILESCC(C)CCOC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20O3S/c1-9(2)3-6-13-10-4-7-14(11,12)8-5-10/h9-10H,3-8H2,1-2H3
InChIKeyCCJJPAPWMMPCLW-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.63
Rot. Bonds4

About 4-(3-methylbutoxy)thiane 1,1-dioxide

4-(3-methylbutoxy)thiane 1,1-dioxide (PubChem CID 171837255) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 4-(3-methylbutoxy)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-methylbutoxy)thiane 1,1-dioxide
PubChem CID171837255
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name4-(3-methylbutoxy)thiane 1,1-dioxide
SMILESCC(C)CCOC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20O3S/c1-9(2)3-6-13-10-4-7-14(11,12)8-5-10/h9-10H,3-8H2,1-2H3
InChIKeyCCJJPAPWMMPCLW-UHFFFAOYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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-(3-methylbutoxy)thiane 1,1-dioxide?
The IUPAC name of 4-(3-methylbutoxy)thiane 1,1-dioxide (CID 171837255) is 4-(3-methylbutoxy)thiane 1,1-dioxide.
What is the SMILES notation for 4-(3-methylbutoxy)thiane 1,1-dioxide?
The canonical SMILES for 4-(3-methylbutoxy)thiane 1,1-dioxide is CC(C)CCOC1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(3-methylbutoxy)thiane 1,1-dioxide?
The InChIKey is CCJJPAPWMMPCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-9(2)3-6-13-10-4-7-14(11,12)8-5-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(3-methylbutoxy)thiane 1,1-dioxide?
4-(3-methylbutoxy)thiane 1,1-dioxide has a molecular weight of 220.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)thiane 1,1-dioxide is sourced from PubChem (CID 171837255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).