4-(benzylsulfanylmethyl)morpholine

C12H17NOS — CID 10421163

IUPAC4-(benzylsulfanylmethyl)morpholine
SMILESc1ccc(CSCN2CCOCC2)cc1
InChIInChI=1S/C12H17NOS/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13/h1-5H,6-11H2
InChIKeyWPPOVAWZSGDOKZ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.21
Rot. Bonds4

About 4-(benzylsulfanylmethyl)morpholine

4-(benzylsulfanylmethyl)morpholine (PubChem CID 10421163) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-(benzylsulfanylmethyl)morpholine.

Molecular Properties

Compound Name4-(benzylsulfanylmethyl)morpholine
PubChem CID10421163
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name4-(benzylsulfanylmethyl)morpholine
SMILESc1ccc(CSCN2CCOCC2)cc1
InChIInChI=1S/C12H17NOS/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13/h1-5H,6-11H2
InChIKeyWPPOVAWZSGDOKZ-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Phenylpropyl)morpholine
CID 782728
2-morpholino-6-phenyl-4H-thiopyran-4-one
CID 9965345
4-(2-Phenyl-ethenesulfonyl)-morpholine
CID 1144752
4-{[(4-Methylbenzyl)thio]acetyl}morpholine
CID 775100
4-(2-{2-[(4-Methylphenyl)thio]ethoxy}ethyl)morpholine hydrochloride
CID 2995588
4-{4-[(4-Methylphenyl)thio]butyl}morpholine hydrochloride
CID 2996334
4-(3-Phenylprop-2-yn-1-yl)morpholine hydrochloride
CID 6456085
4-[2-[(4-Fluorophenyl)methylsulfonyl]ethyl]morpholine
CID 73053533
4-(3-Phenylprop-2-ynyl)morpholine
CID 776254
Morpholine, 4-benzylthiocarbonyl-
CID 91905
Sulfoxide, 2-morpholinoethyl p-tolyl, hydrochloride
CID 214237
Morpholine, 4-(2-((3-methylphenyl)sulfinyl)ethyl)-, hydrochloride
CID 3042251

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfanylmethyl)morpholine?
The IUPAC name of 4-(benzylsulfanylmethyl)morpholine (CID 10421163) is 4-(benzylsulfanylmethyl)morpholine.
What is the SMILES notation for 4-(benzylsulfanylmethyl)morpholine?
The canonical SMILES for 4-(benzylsulfanylmethyl)morpholine is c1ccc(CSCN2CCOCC2)cc1.
What is the InChIKey of 4-(benzylsulfanylmethyl)morpholine?
The InChIKey is WPPOVAWZSGDOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13/h1-5H,6-11H2.
What are the key properties of 4-(benzylsulfanylmethyl)morpholine?
4-(benzylsulfanylmethyl)morpholine has a molecular weight of 223.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfanylmethyl)morpholine is sourced from PubChem (CID 10421163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).