3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine

C8H15NOS — CID 126975144

IUPAC3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine
SMILESCC1CSCCN1C[C@H]1CO1
InChIInChI=1S/C8H15NOS/c1-7-6-11-3-2-9(7)4-8-5-10-8/h7-8H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyIGWGIBFQFJCZPP-MQWKRIRWSA-N
MW173.28 g/mol
LogP0.82
Rot. Bonds2

About 3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine

3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine (PubChem CID 126975144) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine.

Molecular Properties

Compound Name3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine
PubChem CID126975144
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine
SMILESCC1CSCCN1C[C@H]1CO1
InChIInChI=1S/C8H15NOS/c1-7-6-11-3-2-9(7)4-8-5-10-8/h7-8H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyIGWGIBFQFJCZPP-MQWKRIRWSA-N
XLogP0.82
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine?
The IUPAC name of 3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine (CID 126975144) is 3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine.
What is the SMILES notation for 3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine?
The canonical SMILES for 3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine is CC1CSCCN1C[C@H]1CO1.
What is the InChIKey of 3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine?
The InChIKey is IGWGIBFQFJCZPP-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H15NOS/c1-7-6-11-3-2-9(7)4-8-5-10-8/h7-8H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of 3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine?
3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine has a molecular weight of 173.28 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine is sourced from PubChem (CID 126975144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).