5-phenyl-1-thiomorpholin-3-ylpentan-2-one

C15H21NOS — CID 116586489

IUPAC5-phenyl-1-thiomorpholin-3-ylpentan-2-one
SMILESO=C(CCCc1ccccc1)CC1CSCCN1
InChIInChI=1S/C15H21NOS/c17-15(11-14-12-18-10-9-16-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyQPZDTCJDCFOANN-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.67
Rot. Bonds6

About 5-phenyl-1-thiomorpholin-3-ylpentan-2-one

5-phenyl-1-thiomorpholin-3-ylpentan-2-one (PubChem CID 116586489) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-phenyl-1-thiomorpholin-3-ylpentan-2-one.

Molecular Properties

Compound Name5-phenyl-1-thiomorpholin-3-ylpentan-2-one
PubChem CID116586489
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name5-phenyl-1-thiomorpholin-3-ylpentan-2-one
SMILESO=C(CCCc1ccccc1)CC1CSCCN1
InChIInChI=1S/C15H21NOS/c17-15(11-14-12-18-10-9-16-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyQPZDTCJDCFOANN-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylpropyl 2-thiomorpholin-3-ylacetate
CID 66443916
1-thiomorpholin-3-ylnonan-2-one
CID 116586482
N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937369
6-methyl-1-thiomorpholin-3-ylheptan-2-one
CID 116586587
1-(3-bromophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586628
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557
1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119940328
1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119940178
4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 70184380
1-(furan-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586671
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119940150
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-thiomorpholin-3-ylpentan-2-one?
The IUPAC name of 5-phenyl-1-thiomorpholin-3-ylpentan-2-one (CID 116586489) is 5-phenyl-1-thiomorpholin-3-ylpentan-2-one.
What is the SMILES notation for 5-phenyl-1-thiomorpholin-3-ylpentan-2-one?
The canonical SMILES for 5-phenyl-1-thiomorpholin-3-ylpentan-2-one is O=C(CCCc1ccccc1)CC1CSCCN1.
What is the InChIKey of 5-phenyl-1-thiomorpholin-3-ylpentan-2-one?
The InChIKey is QPZDTCJDCFOANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c17-15(11-14-12-18-10-9-16-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2.
What are the key properties of 5-phenyl-1-thiomorpholin-3-ylpentan-2-one?
5-phenyl-1-thiomorpholin-3-ylpentan-2-one has a molecular weight of 263.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-thiomorpholin-3-ylpentan-2-one is sourced from PubChem (CID 116586489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).