3-ethyl-2,4-dimethylthiomorpholine

C8H17NS — CID 12517922

IUPAC3-ethyl-2,4-dimethylthiomorpholine
SMILESCCC1C(C)SCCN1C
InChIInChI=1S/C8H17NS/c1-4-8-7(2)10-6-5-9(8)3/h7-8H,4-6H2,1-3H3
InChIKeyKBYSXSQMDXYYPC-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds1

About 3-ethyl-2,4-dimethylthiomorpholine

3-ethyl-2,4-dimethylthiomorpholine (PubChem CID 12517922) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethylthiomorpholine.

Molecular Properties

Compound Name3-ethyl-2,4-dimethylthiomorpholine
PubChem CID12517922
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-ethyl-2,4-dimethylthiomorpholine
SMILESCCC1C(C)SCCN1C
InChIInChI=1S/C8H17NS/c1-4-8-7(2)10-6-5-9(8)3/h7-8H,4-6H2,1-3H3
InChIKeyKBYSXSQMDXYYPC-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethylthiomorpholine?
The IUPAC name of 3-ethyl-2,4-dimethylthiomorpholine (CID 12517922) is 3-ethyl-2,4-dimethylthiomorpholine.
What is the SMILES notation for 3-ethyl-2,4-dimethylthiomorpholine?
The canonical SMILES for 3-ethyl-2,4-dimethylthiomorpholine is CCC1C(C)SCCN1C.
What is the InChIKey of 3-ethyl-2,4-dimethylthiomorpholine?
The InChIKey is KBYSXSQMDXYYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-8-7(2)10-6-5-9(8)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-2,4-dimethylthiomorpholine?
3-ethyl-2,4-dimethylthiomorpholine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethylthiomorpholine is sourced from PubChem (CID 12517922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).