3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide

C9H17NO4S — CID 114468408

IUPAC3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(OCC2CNCCO2)C1
InChIInChI=1S/C9H17NO4S/c11-15(12)4-1-8(7-15)14-6-9-5-10-2-3-13-9/h8-10H,1-7H2
InChIKeyZECVJCXFJBKUBF-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.82
Rot. Bonds3

About 3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide

3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide (PubChem CID 114468408) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide
PubChem CID114468408
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(OCC2CNCCO2)C1
InChIInChI=1S/C9H17NO4S/c11-15(12)4-1-8(7-15)14-6-9-5-10-2-3-13-9/h8-10H,1-7H2
InChIKeyZECVJCXFJBKUBF-UHFFFAOYSA-N
XLogP-0.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide?
The IUPAC name of 3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide (CID 114468408) is 3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide?
The canonical SMILES for 3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide is O=S1(=O)CCC(OCC2CNCCO2)C1.
What is the InChIKey of 3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide?
The InChIKey is ZECVJCXFJBKUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c11-15(12)4-1-8(7-15)14-6-9-5-10-2-3-13-9/h8-10H,1-7H2.
What are the key properties of 3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide?
3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide has a molecular weight of 235.30 g/mol, XLogP of -0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 114468408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).