tert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate

C11H21NO3S — CID 145493206

IUPACtert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate
SMILESCC(C)(C)OC(=O)COCC1CSCCN1
InChIInChI=1S/C11H21NO3S/c1-11(2,3)15-10(13)7-14-6-9-8-16-5-4-12-9/h9,12H,4-8H2,1-3H3
InChIKeyRLFGYLKIRAUMDA-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.05
Rot. Bonds4

About tert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate

tert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate (PubChem CID 145493206) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is tert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate
PubChem CID145493206
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Nametert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate
SMILESCC(C)(C)OC(=O)COCC1CSCCN1
InChIInChI=1S/C11H21NO3S/c1-11(2,3)15-10(13)7-14-6-9-8-16-5-4-12-9/h9,12H,4-8H2,1-3H3
InChIKeyRLFGYLKIRAUMDA-UHFFFAOYSA-N
XLogP1.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate?
The IUPAC name of tert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate (CID 145493206) is tert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate.
What is the SMILES notation for tert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate?
The canonical SMILES for tert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate is CC(C)(C)OC(=O)COCC1CSCCN1.
What is the InChIKey of tert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate?
The InChIKey is RLFGYLKIRAUMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(2,3)15-10(13)7-14-6-9-8-16-5-4-12-9/h9,12H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate?
tert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate has a molecular weight of 247.36 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(thiomorpholin-3-ylmethoxy)acetate is sourced from PubChem (CID 145493206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).