3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one

C12H23NOS — CID 103595186

IUPAC3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one
SMILESCCC(CC)CC(=O)C1CSCCN1C
InChIInChI=1S/C12H23NOS/c1-4-10(5-2)8-12(14)11-9-15-7-6-13(11)3/h10-11H,4-9H2,1-3H3
InChIKeyUJJYRUQPINDADJ-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.43
Rot. Bonds5

About 3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one

3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one (PubChem CID 103595186) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one.

Molecular Properties

Compound Name3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one
PubChem CID103595186
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one
SMILESCCC(CC)CC(=O)C1CSCCN1C
InChIInChI=1S/C12H23NOS/c1-4-10(5-2)8-12(14)11-9-15-7-6-13(11)3/h10-11H,4-9H2,1-3H3
InChIKeyUJJYRUQPINDADJ-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one?
The IUPAC name of 3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one (CID 103595186) is 3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one.
What is the SMILES notation for 3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one?
The canonical SMILES for 3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one is CCC(CC)CC(=O)C1CSCCN1C.
What is the InChIKey of 3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one?
The InChIKey is UJJYRUQPINDADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-4-10(5-2)8-12(14)11-9-15-7-6-13(11)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one?
3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one has a molecular weight of 229.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one is sourced from PubChem (CID 103595186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).