5-(4-chlorophenyl)thiomorpholin-3-one

C10H10ClNOS — CID 105485089

IUPAC5-(4-chlorophenyl)thiomorpholin-3-one
SMILESO=C1CSCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C10H10ClNOS/c11-8-3-1-7(2-4-8)9-5-14-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)
InChIKeyOIYNUVIIDXVYEU-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.24
Rot. Bonds1

About 5-(4-chlorophenyl)thiomorpholin-3-one

5-(4-chlorophenyl)thiomorpholin-3-one (PubChem CID 105485089) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)thiomorpholin-3-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)thiomorpholin-3-one
PubChem CID105485089
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name5-(4-chlorophenyl)thiomorpholin-3-one
SMILESO=C1CSCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C10H10ClNOS/c11-8-3-1-7(2-4-8)9-5-14-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)
InChIKeyOIYNUVIIDXVYEU-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxyphenyl)thiomorpholin-3-one
CID 105480891
5-(2-fluorophenyl)thiomorpholin-3-one
CID 105464971
8-(4-chlorophenyl)azocan-2-one
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(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione
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6-(4-chlorophenyl)diazinan-3-one
CID 139782184
(4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide
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(6S)-6-(4-chlorophenyl)azepan-2-one
CID 97102781
(4S)-4-(4-chlorophenyl)azetidine-2-thione
CID 102306093
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
5,6-bis(4-chlorophenyl)piperazin-2-one
CID 78034573
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
5-(4-chlorophenyl)-2-methylpyrazolidin-3-one
CID 59098195

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)thiomorpholin-3-one?
The IUPAC name of 5-(4-chlorophenyl)thiomorpholin-3-one (CID 105485089) is 5-(4-chlorophenyl)thiomorpholin-3-one.
What is the SMILES notation for 5-(4-chlorophenyl)thiomorpholin-3-one?
The canonical SMILES for 5-(4-chlorophenyl)thiomorpholin-3-one is O=C1CSCC(c2ccc(Cl)cc2)N1.
What is the InChIKey of 5-(4-chlorophenyl)thiomorpholin-3-one?
The InChIKey is OIYNUVIIDXVYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c11-8-3-1-7(2-4-8)9-5-14-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13).
What are the key properties of 5-(4-chlorophenyl)thiomorpholin-3-one?
5-(4-chlorophenyl)thiomorpholin-3-one has a molecular weight of 227.72 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)thiomorpholin-3-one is sourced from PubChem (CID 105485089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).