4-methylthiomorpholine

C5H11NS — CID 523249

IUPAC4-methylthiomorpholine
SMILESCN1CCSCC1
InChIInChI=1S/C5H11NS/c1-6-2-4-7-5-3-6/h2-5H2,1H3
InChIKeyKDTVWEHAAISPNW-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.67
Rot. Bonds

About 4-methylthiomorpholine

4-methylthiomorpholine (PubChem CID 523249) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 4-methylthiomorpholine.

Molecular Properties

Compound Name4-methylthiomorpholine
PubChem CID523249
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name4-methylthiomorpholine
SMILESCN1CCSCC1
InChIInChI=1S/C5H11NS/c1-6-2-4-7-5-3-6/h2-5H2,1H3
InChIKeyKDTVWEHAAISPNW-UHFFFAOYSA-N
XLogP0.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylthiomorpholine?
The IUPAC name of 4-methylthiomorpholine (CID 523249) is 4-methylthiomorpholine.
What is the SMILES notation for 4-methylthiomorpholine?
The canonical SMILES for 4-methylthiomorpholine is CN1CCSCC1.
What is the InChIKey of 4-methylthiomorpholine?
The InChIKey is KDTVWEHAAISPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-6-2-4-7-5-3-6/h2-5H2,1H3.
What are the key properties of 4-methylthiomorpholine?
4-methylthiomorpholine has a molecular weight of 117.22 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiomorpholine is sourced from PubChem (CID 523249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).