2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide

C10H19NO3S — CID 6610822

IUPAC2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide
SMILESCC1C(N2CCOCC2)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H19NO3S/c1-8-9(10(2,3)15(8,12)13)11-4-6-14-7-5-11/h8-9H,4-7H2,1-3H3
InChIKeyQCFJSCNJQHQYQZ-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.28
Rot. Bonds1

About 2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide

2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide (PubChem CID 6610822) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide.

Molecular Properties

Compound Name2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide
PubChem CID6610822
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide
SMILESCC1C(N2CCOCC2)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H19NO3S/c1-8-9(10(2,3)15(8,12)13)11-4-6-14-7-5-11/h8-9H,4-7H2,1-3H3
InChIKeyQCFJSCNJQHQYQZ-UHFFFAOYSA-N
XLogP0.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide?
The IUPAC name of 2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide (CID 6610822) is 2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide.
What is the SMILES notation for 2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide?
The canonical SMILES for 2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide is CC1C(N2CCOCC2)C(C)(C)S1(=O)=O.
What is the InChIKey of 2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide?
The InChIKey is QCFJSCNJQHQYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8-9(10(2,3)15(8,12)13)11-4-6-14-7-5-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide?
2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide has a molecular weight of 233.33 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide is sourced from PubChem (CID 6610822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).