4-[(4-chlorophenyl)methyl]thiomorpholin-3-one

C11H12ClNOS — CID 134110117

IUPAC4-[(4-chlorophenyl)methyl]thiomorpholin-3-one
SMILESO=C1CSCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNOS/c12-10-3-1-9(2-4-10)7-13-5-6-15-8-11(13)14/h1-4H,5-8H2
InChIKeyHBVLOONZMGBFNI-UHFFFAOYSA-N
MW241.74 g/mol
LogP2.42
Rot. Bonds2

About 4-[(4-chlorophenyl)methyl]thiomorpholin-3-one

4-[(4-chlorophenyl)methyl]thiomorpholin-3-one (PubChem CID 134110117) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]thiomorpholin-3-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]thiomorpholin-3-one
PubChem CID134110117
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC Name4-[(4-chlorophenyl)methyl]thiomorpholin-3-one
SMILESO=C1CSCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNOS/c12-10-3-1-9(2-4-10)7-13-5-6-15-8-11(13)14/h1-4H,5-8H2
InChIKeyHBVLOONZMGBFNI-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]thiomorpholin-3-one?
The IUPAC name of 4-[(4-chlorophenyl)methyl]thiomorpholin-3-one (CID 134110117) is 4-[(4-chlorophenyl)methyl]thiomorpholin-3-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]thiomorpholin-3-one?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]thiomorpholin-3-one is O=C1CSCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]thiomorpholin-3-one?
The InChIKey is HBVLOONZMGBFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS/c12-10-3-1-9(2-4-10)7-13-5-6-15-8-11(13)14/h1-4H,5-8H2.
What are the key properties of 4-[(4-chlorophenyl)methyl]thiomorpholin-3-one?
4-[(4-chlorophenyl)methyl]thiomorpholin-3-one has a molecular weight of 241.74 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]thiomorpholin-3-one is sourced from PubChem (CID 134110117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).