(2-benzylsulfanylphenyl)-morpholin-4-ylmethanone

C18H19NO2S — CID 563441

IUPAC(2-benzylsulfanylphenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccccc1SCc1ccccc1)N1CCOCC1
InChIInChI=1S/C18H19NO2S/c20-18(19-10-12-21-13-11-19)16-8-4-5-9-17(16)22-14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyQTLCXGYKTPZNJP-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.45
Rot. Bonds4

About (2-benzylsulfanylphenyl)-morpholin-4-ylmethanone

(2-benzylsulfanylphenyl)-morpholin-4-ylmethanone (PubChem CID 563441) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2-benzylsulfanylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-benzylsulfanylphenyl)-morpholin-4-ylmethanone
PubChem CID563441
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name(2-benzylsulfanylphenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccccc1SCc1ccccc1)N1CCOCC1
InChIInChI=1S/C18H19NO2S/c20-18(19-10-12-21-13-11-19)16-8-4-5-9-17(16)22-14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyQTLCXGYKTPZNJP-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfanylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-benzylsulfanylphenyl)-morpholin-4-ylmethanone (CID 563441) is (2-benzylsulfanylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-benzylsulfanylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-benzylsulfanylphenyl)-morpholin-4-ylmethanone is O=C(c1ccccc1SCc1ccccc1)N1CCOCC1.
What is the InChIKey of (2-benzylsulfanylphenyl)-morpholin-4-ylmethanone?
The InChIKey is QTLCXGYKTPZNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c20-18(19-10-12-21-13-11-19)16-8-4-5-9-17(16)22-14-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of (2-benzylsulfanylphenyl)-morpholin-4-ylmethanone?
(2-benzylsulfanylphenyl)-morpholin-4-ylmethanone has a molecular weight of 313.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylsulfanylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 563441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).