3-morpholin-4-ylthiolane 1,1-dioxide

C8H15NO3S — CID 2831165

IUPAC3-morpholin-4-ylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCOCC2)C1
InChIInChI=1S/C8H15NO3S/c10-13(11)6-1-8(7-13)9-2-4-12-5-3-9/h8H,1-7H2
InChIKeyWPFHERFZMTXDJX-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.49
Rot. Bonds1

About 3-morpholin-4-ylthiolane 1,1-dioxide

3-morpholin-4-ylthiolane 1,1-dioxide (PubChem CID 2831165) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-morpholin-4-ylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-morpholin-4-ylthiolane 1,1-dioxide
PubChem CID2831165
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name3-morpholin-4-ylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCOCC2)C1
InChIInChI=1S/C8H15NO3S/c10-13(11)6-1-8(7-13)9-2-4-12-5-3-9/h8H,1-7H2
InChIKeyWPFHERFZMTXDJX-UHFFFAOYSA-N
XLogP-0.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylthiolane 1,1-dioxide?
The IUPAC name of 3-morpholin-4-ylthiolane 1,1-dioxide (CID 2831165) is 3-morpholin-4-ylthiolane 1,1-dioxide.
What is the SMILES notation for 3-morpholin-4-ylthiolane 1,1-dioxide?
The canonical SMILES for 3-morpholin-4-ylthiolane 1,1-dioxide is O=S1(=O)CCC(N2CCOCC2)C1.
What is the InChIKey of 3-morpholin-4-ylthiolane 1,1-dioxide?
The InChIKey is WPFHERFZMTXDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c10-13(11)6-1-8(7-13)9-2-4-12-5-3-9/h8H,1-7H2.
What are the key properties of 3-morpholin-4-ylthiolane 1,1-dioxide?
3-morpholin-4-ylthiolane 1,1-dioxide has a molecular weight of 205.28 g/mol, XLogP of -0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylthiolane 1,1-dioxide is sourced from PubChem (CID 2831165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).