4,5-diethyl-2,5-dimethylthiomorpholine

C10H21NS — CID 163549722

IUPAC4,5-diethyl-2,5-dimethylthiomorpholine
SMILESCCN1CC(C)SCC1(C)CC
InChIInChI=1S/C10H21NS/c1-5-10(4)8-12-9(3)7-11(10)6-2/h9H,5-8H2,1-4H3
InChIKeyFIAZRDDWFNEDBG-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds2

About 4,5-diethyl-2,5-dimethylthiomorpholine

4,5-diethyl-2,5-dimethylthiomorpholine (PubChem CID 163549722) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4,5-diethyl-2,5-dimethylthiomorpholine.

Molecular Properties

Compound Name4,5-diethyl-2,5-dimethylthiomorpholine
PubChem CID163549722
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4,5-diethyl-2,5-dimethylthiomorpholine
SMILESCCN1CC(C)SCC1(C)CC
InChIInChI=1S/C10H21NS/c1-5-10(4)8-12-9(3)7-11(10)6-2/h9H,5-8H2,1-4H3
InChIKeyFIAZRDDWFNEDBG-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2,5-dimethylthiomorpholine?
The IUPAC name of 4,5-diethyl-2,5-dimethylthiomorpholine (CID 163549722) is 4,5-diethyl-2,5-dimethylthiomorpholine.
What is the SMILES notation for 4,5-diethyl-2,5-dimethylthiomorpholine?
The canonical SMILES for 4,5-diethyl-2,5-dimethylthiomorpholine is CCN1CC(C)SCC1(C)CC.
What is the InChIKey of 4,5-diethyl-2,5-dimethylthiomorpholine?
The InChIKey is FIAZRDDWFNEDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-10(4)8-12-9(3)7-11(10)6-2/h9H,5-8H2,1-4H3.
What are the key properties of 4,5-diethyl-2,5-dimethylthiomorpholine?
4,5-diethyl-2,5-dimethylthiomorpholine has a molecular weight of 187.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2,5-dimethylthiomorpholine is sourced from PubChem (CID 163549722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).