2,5,5-trimethylthiomorpholine

C7H15NS — CID 19848469

IUPAC2,5,5-trimethylthiomorpholine
SMILESCC1CNC(C)(C)CS1
InChIInChI=1S/C7H15NS/c1-6-4-8-7(2,3)5-9-6/h6,8H,4-5H2,1-3H3
InChIKeyPZXOGBYZFNUFQP-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.49
Rot. Bonds

About 2,5,5-trimethylthiomorpholine

2,5,5-trimethylthiomorpholine (PubChem CID 19848469) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2,5,5-trimethylthiomorpholine.

Molecular Properties

Compound Name2,5,5-trimethylthiomorpholine
PubChem CID19848469
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2,5,5-trimethylthiomorpholine
SMILESCC1CNC(C)(C)CS1
InChIInChI=1S/C7H15NS/c1-6-4-8-7(2,3)5-9-6/h6,8H,4-5H2,1-3H3
InChIKeyPZXOGBYZFNUFQP-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethylthiomorpholine?
The IUPAC name of 2,5,5-trimethylthiomorpholine (CID 19848469) is 2,5,5-trimethylthiomorpholine.
What is the SMILES notation for 2,5,5-trimethylthiomorpholine?
The canonical SMILES for 2,5,5-trimethylthiomorpholine is CC1CNC(C)(C)CS1.
What is the InChIKey of 2,5,5-trimethylthiomorpholine?
The InChIKey is PZXOGBYZFNUFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6-4-8-7(2,3)5-9-6/h6,8H,4-5H2,1-3H3.
What are the key properties of 2,5,5-trimethylthiomorpholine?
2,5,5-trimethylthiomorpholine has a molecular weight of 145.27 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylthiomorpholine is sourced from PubChem (CID 19848469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).