2,3,5,6-tetramethylthiomorpholine

C8H17NS — CID 57044051

IUPAC2,3,5,6-tetramethylthiomorpholine
SMILESCC1NC(C)C(C)SC1C
InChIInChI=1S/C8H17NS/c1-5-7(3)10-8(4)6(2)9-5/h5-9H,1-4H3
InChIKeyPNFWGQYGVJGJDX-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.88
Rot. Bonds

About 2,3,5,6-tetramethylthiomorpholine

2,3,5,6-tetramethylthiomorpholine (PubChem CID 57044051) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2,3,5,6-tetramethylthiomorpholine.

Molecular Properties

Compound Name2,3,5,6-tetramethylthiomorpholine
PubChem CID57044051
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2,3,5,6-tetramethylthiomorpholine
SMILESCC1NC(C)C(C)SC1C
InChIInChI=1S/C8H17NS/c1-5-7(3)10-8(4)6(2)9-5/h5-9H,1-4H3
InChIKeyPNFWGQYGVJGJDX-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethylthiomorpholine?
The IUPAC name of 2,3,5,6-tetramethylthiomorpholine (CID 57044051) is 2,3,5,6-tetramethylthiomorpholine.
What is the SMILES notation for 2,3,5,6-tetramethylthiomorpholine?
The canonical SMILES for 2,3,5,6-tetramethylthiomorpholine is CC1NC(C)C(C)SC1C.
What is the InChIKey of 2,3,5,6-tetramethylthiomorpholine?
The InChIKey is PNFWGQYGVJGJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-5-7(3)10-8(4)6(2)9-5/h5-9H,1-4H3.
What are the key properties of 2,3,5,6-tetramethylthiomorpholine?
2,3,5,6-tetramethylthiomorpholine has a molecular weight of 159.30 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethylthiomorpholine is sourced from PubChem (CID 57044051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).