3-methylthiomorpholine

C5H11NS — CID 12600300

IUPAC3-methylthiomorpholine
SMILESCC1CSCCN1
InChIInChI=1S/C5H11NS/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3
InChIKeyKZZPRWYOUNLBQK-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.71
Rot. Bonds

About 3-methylthiomorpholine

3-methylthiomorpholine (PubChem CID 12600300) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 3-methylthiomorpholine.

Molecular Properties

Compound Name3-methylthiomorpholine
PubChem CID12600300
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name3-methylthiomorpholine
SMILESCC1CSCCN1
InChIInChI=1S/C5H11NS/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3
InChIKeyKZZPRWYOUNLBQK-UHFFFAOYSA-N
XLogP0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylthiomorpholine?
The IUPAC name of 3-methylthiomorpholine (CID 12600300) is 3-methylthiomorpholine.
What is the SMILES notation for 3-methylthiomorpholine?
The canonical SMILES for 3-methylthiomorpholine is CC1CSCCN1.
What is the InChIKey of 3-methylthiomorpholine?
The InChIKey is KZZPRWYOUNLBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3.
What are the key properties of 3-methylthiomorpholine?
3-methylthiomorpholine has a molecular weight of 117.22 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthiomorpholine is sourced from PubChem (CID 12600300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).