1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one

C11H14ClNOS2 — CID 116586600

IUPAC1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
SMILESO=C(Cc1ccc(Cl)s1)CC1CSCCN1
InChIInChI=1S/C11H14ClNOS2/c12-11-2-1-10(16-11)6-9(14)5-8-7-15-4-3-13-8/h1-2,8,13H,3-7H2
InChIKeyAWLTZPJENKSCBA-UHFFFAOYSA-N
MW275.83 g/mol
LogP2.61
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one

1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one (PubChem CID 116586600) has the molecular formula C11H14ClNOS2 and a molecular weight of 275.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
PubChem CID116586600
Molecular FormulaC11H14ClNOS2
Molecular Weight275.83 g/mol
Exact Mass275.02
IUPAC Name1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
SMILESO=C(Cc1ccc(Cl)s1)CC1CSCCN1
InChIInChI=1S/C11H14ClNOS2/c12-11-2-1-10(16-11)6-9(14)5-8-7-15-4-3-13-8/h1-2,8,13H,3-7H2
InChIKeyAWLTZPJENKSCBA-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.83
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586701
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422444
1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 106871284
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557
1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586447
1-(3-bromophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586628
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586505
N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
5-phenyl-1-thiomorpholin-3-ylpentan-2-one
CID 116586489
1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586576
1-(furan-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586671

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one (CID 116586600) is 1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one is O=C(Cc1ccc(Cl)s1)CC1CSCCN1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one?
The InChIKey is AWLTZPJENKSCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS2/c12-11-2-1-10(16-11)6-9(14)5-8-7-15-4-3-13-8/h1-2,8,13H,3-7H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one?
1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one has a molecular weight of 275.83 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one is sourced from PubChem (CID 116586600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).