2,3,4-trimethylthiomorpholine

C7H15NS — CID 58293729

IUPAC2,3,4-trimethylthiomorpholine
SMILESCC1SCCN(C)C1C
InChIInChI=1S/C7H15NS/c1-6-7(2)9-5-4-8(6)3/h6-7H,4-5H2,1-3H3
InChIKeySKPXATAUNOQREQ-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.44
Rot. Bonds

About 2,3,4-trimethylthiomorpholine

2,3,4-trimethylthiomorpholine (PubChem CID 58293729) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2,3,4-trimethylthiomorpholine.

Molecular Properties

Compound Name2,3,4-trimethylthiomorpholine
PubChem CID58293729
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2,3,4-trimethylthiomorpholine
SMILESCC1SCCN(C)C1C
InChIInChI=1S/C7H15NS/c1-6-7(2)9-5-4-8(6)3/h6-7H,4-5H2,1-3H3
InChIKeySKPXATAUNOQREQ-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylthiomorpholine?
The IUPAC name of 2,3,4-trimethylthiomorpholine (CID 58293729) is 2,3,4-trimethylthiomorpholine.
What is the SMILES notation for 2,3,4-trimethylthiomorpholine?
The canonical SMILES for 2,3,4-trimethylthiomorpholine is CC1SCCN(C)C1C.
What is the InChIKey of 2,3,4-trimethylthiomorpholine?
The InChIKey is SKPXATAUNOQREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6-7(2)9-5-4-8(6)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,3,4-trimethylthiomorpholine?
2,3,4-trimethylthiomorpholine has a molecular weight of 145.27 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylthiomorpholine is sourced from PubChem (CID 58293729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).