4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride

C8H16ClNOS — CID 173446848

IUPAC4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride
SMILESCC1OC1CN1CCSCC1.Cl
InChIInChI=1S/C8H15NOS.ClH/c1-7-8(10-7)6-9-2-4-11-5-3-9;/h7-8H,2-6H2,1H3;1H
InChIKeyVEPWEUXJANHTEL-UHFFFAOYSA-N
MW209.74 g/mol
LogP1.24
Rot. Bonds2

About 4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride

4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride (PubChem CID 173446848) has the molecular formula C8H16ClNOS and a molecular weight of 209.74 g/mol. Its IUPAC name is 4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride.

Molecular Properties

Compound Name4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride
PubChem CID173446848
Molecular FormulaC8H16ClNOS
Molecular Weight209.74 g/mol
Exact Mass209.06
IUPAC Name4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride
SMILESCC1OC1CN1CCSCC1.Cl
InChIInChI=1S/C8H15NOS.ClH/c1-7-8(10-7)6-9-2-4-11-5-3-9;/h7-8H,2-6H2,1H3;1H
InChIKeyVEPWEUXJANHTEL-UHFFFAOYSA-N
XLogP1.24
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.74
LogP ≤ 51.24
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-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride?
The IUPAC name of 4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride (CID 173446848) is 4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride.
What is the SMILES notation for 4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride?
The canonical SMILES for 4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride is CC1OC1CN1CCSCC1.Cl.
What is the InChIKey of 4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride?
The InChIKey is VEPWEUXJANHTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS.ClH/c1-7-8(10-7)6-9-2-4-11-5-3-9;/h7-8H,2-6H2,1H3;1H.
What are the key properties of 4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride?
4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride has a molecular weight of 209.74 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyloxiran-2-yl)methyl]thiomorpholine;hydrochloride is sourced from PubChem (CID 173446848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).