2-methylthiomorpholine

C5H11NS — CID 14953857

IUPAC2-methylthiomorpholine
SMILESCC1CNCCS1
InChIInChI=1S/C5H11NS/c1-5-4-6-2-3-7-5/h5-6H,2-4H2,1H3
InChIKeyMHHCLPHGZOISFK-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.71
Rot. Bonds

About 2-methylthiomorpholine

2-methylthiomorpholine (PubChem CID 14953857) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-methylthiomorpholine.

Molecular Properties

Compound Name2-methylthiomorpholine
PubChem CID14953857
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2-methylthiomorpholine
SMILESCC1CNCCS1
InChIInChI=1S/C5H11NS/c1-5-4-6-2-3-7-5/h5-6H,2-4H2,1H3
InChIKeyMHHCLPHGZOISFK-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 2-methylthiomorpholine?
The IUPAC name of 2-methylthiomorpholine (CID 14953857) is 2-methylthiomorpholine.
What is the SMILES notation for 2-methylthiomorpholine?
The canonical SMILES for 2-methylthiomorpholine is CC1CNCCS1.
What is the InChIKey of 2-methylthiomorpholine?
The InChIKey is MHHCLPHGZOISFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-5-4-6-2-3-7-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-methylthiomorpholine?
2-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 2-methylthiomorpholine is sourced from PubChem (CID 14953857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).