propan-2-yl 2-thiomorpholin-4-ylacetate

C9H17NO2S — CID 60775800

IUPACpropan-2-yl 2-thiomorpholin-4-ylacetate
SMILESCC(C)OC(=O)CN1CCSCC1
InChIInChI=1S/C9H17NO2S/c1-8(2)12-9(11)7-10-3-5-13-6-4-10/h8H,3-7H2,1-2H3
InChIKeyHAWOBAUGSPPTMX-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.99
Rot. Bonds3

About propan-2-yl 2-thiomorpholin-4-ylacetate

propan-2-yl 2-thiomorpholin-4-ylacetate (PubChem CID 60775800) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is propan-2-yl 2-thiomorpholin-4-ylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-thiomorpholin-4-ylacetate
PubChem CID60775800
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Namepropan-2-yl 2-thiomorpholin-4-ylacetate
SMILESCC(C)OC(=O)CN1CCSCC1
InChIInChI=1S/C9H17NO2S/c1-8(2)12-9(11)7-10-3-5-13-6-4-10/h8H,3-7H2,1-2H3
InChIKeyHAWOBAUGSPPTMX-UHFFFAOYSA-N
XLogP0.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-thiomorpholin-4-ylacetate?
The IUPAC name of propan-2-yl 2-thiomorpholin-4-ylacetate (CID 60775800) is propan-2-yl 2-thiomorpholin-4-ylacetate.
What is the SMILES notation for propan-2-yl 2-thiomorpholin-4-ylacetate?
The canonical SMILES for propan-2-yl 2-thiomorpholin-4-ylacetate is CC(C)OC(=O)CN1CCSCC1.
What is the InChIKey of propan-2-yl 2-thiomorpholin-4-ylacetate?
The InChIKey is HAWOBAUGSPPTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-8(2)12-9(11)7-10-3-5-13-6-4-10/h8H,3-7H2,1-2H3.
What are the key properties of propan-2-yl 2-thiomorpholin-4-ylacetate?
propan-2-yl 2-thiomorpholin-4-ylacetate has a molecular weight of 203.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-thiomorpholin-4-ylacetate is sourced from PubChem (CID 60775800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).