4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine

C7H13NOS — CID 28787280

IUPAC4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine
SMILESC1CN(C[C@@H]2CO2)CCS1
InChIInChI=1S/C7H13NOS/c1-3-10-4-2-8(1)5-7-6-9-7/h7H,1-6H2/t7-/m1/s1
InChIKeyQUGHDRUSLXXOTQ-SSDOTTSWSA-N
MW159.25 g/mol
LogP0.43
Rot. Bonds2

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

4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine (PubChem CID 28787280) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine
PubChem CID28787280
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine
SMILESC1CN(C[C@@H]2CO2)CCS1
InChIInChI=1S/C7H13NOS/c1-3-10-4-2-8(1)5-7-6-9-7/h7H,1-6H2/t7-/m1/s1
InChIKeyQUGHDRUSLXXOTQ-SSDOTTSWSA-N
XLogP0.43
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine?
The IUPAC name of 4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine (CID 28787280) is 4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine?
The canonical SMILES for 4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine is C1CN(C[C@@H]2CO2)CCS1.
What is the InChIKey of 4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine?
The InChIKey is QUGHDRUSLXXOTQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NOS/c1-3-10-4-2-8(1)5-7-6-9-7/h7H,1-6H2/t7-/m1/s1.
What are the key properties of 4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine?
4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine has a molecular weight of 159.25 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-oxiran-2-yl]methyl]thiomorpholine is sourced from PubChem (CID 28787280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).