4-ethyl-2,3-dimethylthiomorpholine

C8H17NS — CID 118591782

IUPAC4-ethyl-2,3-dimethylthiomorpholine
SMILESCCN1CCSC(C)C1C
InChIInChI=1S/C8H17NS/c1-4-9-5-6-10-8(3)7(9)2/h7-8H,4-6H2,1-3H3
InChIKeyIULZSOAPPZOGAA-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds1

About 4-ethyl-2,3-dimethylthiomorpholine

4-ethyl-2,3-dimethylthiomorpholine (PubChem CID 118591782) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 4-ethyl-2,3-dimethylthiomorpholine.

Molecular Properties

Compound Name4-ethyl-2,3-dimethylthiomorpholine
PubChem CID118591782
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name4-ethyl-2,3-dimethylthiomorpholine
SMILESCCN1CCSC(C)C1C
InChIInChI=1S/C8H17NS/c1-4-9-5-6-10-8(3)7(9)2/h7-8H,4-6H2,1-3H3
InChIKeyIULZSOAPPZOGAA-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 4-ethyl-2,3-dimethylthiomorpholine?
The IUPAC name of 4-ethyl-2,3-dimethylthiomorpholine (CID 118591782) is 4-ethyl-2,3-dimethylthiomorpholine.
What is the SMILES notation for 4-ethyl-2,3-dimethylthiomorpholine?
The canonical SMILES for 4-ethyl-2,3-dimethylthiomorpholine is CCN1CCSC(C)C1C.
What is the InChIKey of 4-ethyl-2,3-dimethylthiomorpholine?
The InChIKey is IULZSOAPPZOGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-9-5-6-10-8(3)7(9)2/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-2,3-dimethylthiomorpholine?
4-ethyl-2,3-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 4-ethyl-2,3-dimethylthiomorpholine is sourced from PubChem (CID 118591782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).