4-(2-phenylsulfanylethyl)morpholine

C12H17NOS — CID 739875

IUPAC4-(2-phenylsulfanylethyl)morpholine
SMILESc1ccc(SCCN2CCOCC2)cc1
InChIInChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h1-5H,6-11H2
InChIKeyQDTNFZGZGSMNCU-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.11
Rot. Bonds4

About 4-(2-phenylsulfanylethyl)morpholine

4-(2-phenylsulfanylethyl)morpholine (PubChem CID 739875) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-(2-phenylsulfanylethyl)morpholine.

Molecular Properties

Compound Name4-(2-phenylsulfanylethyl)morpholine
PubChem CID739875
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name4-(2-phenylsulfanylethyl)morpholine
SMILESc1ccc(SCCN2CCOCC2)cc1
InChIInChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h1-5H,6-11H2
InChIKeyQDTNFZGZGSMNCU-UHFFFAOYSA-N
XLogP2.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylsulfanylethyl)morpholine?
The IUPAC name of 4-(2-phenylsulfanylethyl)morpholine (CID 739875) is 4-(2-phenylsulfanylethyl)morpholine.
What is the SMILES notation for 4-(2-phenylsulfanylethyl)morpholine?
The canonical SMILES for 4-(2-phenylsulfanylethyl)morpholine is c1ccc(SCCN2CCOCC2)cc1.
What is the InChIKey of 4-(2-phenylsulfanylethyl)morpholine?
The InChIKey is QDTNFZGZGSMNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h1-5H,6-11H2.
What are the key properties of 4-(2-phenylsulfanylethyl)morpholine?
4-(2-phenylsulfanylethyl)morpholine has a molecular weight of 223.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylsulfanylethyl)morpholine is sourced from PubChem (CID 739875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).