1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one

C13H16ClNOS — CID 116586557

IUPAC1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
SMILESO=C(Cc1cccc(Cl)c1)CC1CSCCN1
InChIInChI=1S/C13H16ClNOS/c14-11-3-1-2-10(6-11)7-13(16)8-12-9-17-5-4-15-12/h1-3,6,12,15H,4-5,7-9H2
InChIKeyHDNCBHCOTHGDIA-UHFFFAOYSA-N
MW269.80 g/mol
LogP2.55
Rot. Bonds4

About 1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one

1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one (PubChem CID 116586557) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
PubChem CID116586557
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
SMILESO=C(Cc1cccc(Cl)c1)CC1CSCCN1
InChIInChI=1S/C13H16ClNOS/c14-11-3-1-2-10(6-11)7-13(16)8-12-9-17-5-4-15-12/h1-3,6,12,15H,4-5,7-9H2
InChIKeyHDNCBHCOTHGDIA-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586628
3-[(3-chlorophenyl)methyl]thiomorpholine
CID 82288156
1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586600
1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 106871284
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide
CID 119937245
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
5-phenyl-1-thiomorpholin-3-ylpentan-2-one
CID 116586489
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119936713
1-(furan-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586671
1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586592
1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
CID 62504262

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one (CID 116586557) is 1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one is O=C(Cc1cccc(Cl)c1)CC1CSCCN1.
What is the InChIKey of 1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one?
The InChIKey is HDNCBHCOTHGDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNOS/c14-11-3-1-2-10(6-11)7-13(16)8-12-9-17-5-4-15-12/h1-3,6,12,15H,4-5,7-9H2.
What are the key properties of 1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one?
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one has a molecular weight of 269.80 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one is sourced from PubChem (CID 116586557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).