propan-2-yl 2-ethylthiomorpholine-4-carboxylate

C10H19NO2S — CID 116658045

IUPACpropan-2-yl 2-ethylthiomorpholine-4-carboxylate
SMILESCCC1CN(C(=O)OC(C)C)CCS1
InChIInChI=1S/C10H19NO2S/c1-4-9-7-11(5-6-14-9)10(12)13-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyBAFXQSQMKGDQNV-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.36
Rot. Bonds2

About propan-2-yl 2-ethylthiomorpholine-4-carboxylate

propan-2-yl 2-ethylthiomorpholine-4-carboxylate (PubChem CID 116658045) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is propan-2-yl 2-ethylthiomorpholine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-ethylthiomorpholine-4-carboxylate
PubChem CID116658045
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namepropan-2-yl 2-ethylthiomorpholine-4-carboxylate
SMILESCCC1CN(C(=O)OC(C)C)CCS1
InChIInChI=1S/C10H19NO2S/c1-4-9-7-11(5-6-14-9)10(12)13-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyBAFXQSQMKGDQNV-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-ethylthiomorpholine-4-carboxylate?
The IUPAC name of propan-2-yl 2-ethylthiomorpholine-4-carboxylate (CID 116658045) is propan-2-yl 2-ethylthiomorpholine-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-ethylthiomorpholine-4-carboxylate?
The canonical SMILES for propan-2-yl 2-ethylthiomorpholine-4-carboxylate is CCC1CN(C(=O)OC(C)C)CCS1.
What is the InChIKey of propan-2-yl 2-ethylthiomorpholine-4-carboxylate?
The InChIKey is BAFXQSQMKGDQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-4-9-7-11(5-6-14-9)10(12)13-8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of propan-2-yl 2-ethylthiomorpholine-4-carboxylate?
propan-2-yl 2-ethylthiomorpholine-4-carboxylate has a molecular weight of 217.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-ethylthiomorpholine-4-carboxylate is sourced from PubChem (CID 116658045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).