1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one

C15H21NO3S2 — CID 66378285

IUPAC1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one
SMILESCCS(=O)(=O)C1CSCCN1CC(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO3S2/c1-2-21(18,19)15-12-20-9-8-16(15)11-14(17)10-13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3
InChIKeyCOIAANIJRATXIR-UHFFFAOYSA-N
MW327.47 g/mol
LogP1.61
Rot. Bonds6

About 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one

1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one (PubChem CID 66378285) has the molecular formula C15H21NO3S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one
PubChem CID66378285
Molecular FormulaC15H21NO3S2
Molecular Weight327.47 g/mol
Exact Mass327.10
IUPAC Name1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one
SMILESCCS(=O)(=O)C1CSCCN1CC(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO3S2/c1-2-21(18,19)15-12-20-9-8-16(15)11-14(17)10-13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3
InChIKeyCOIAANIJRATXIR-UHFFFAOYSA-N
XLogP1.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66377379
4-[(4-bromophenyl)methyl]-3-ethylsulfonylthiomorpholine
CID 66378295
2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
CID 66378129
1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one
CID 43794410
2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine
CID 66377959
3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline
CID 66384075
3-ethylsulfonyl-N'-phenylthiomorpholine-4-carboximidamide
CID 66375827
(2,6-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107689435
3-ethylsulfonyl-N-phenylthiomorpholine-4-carbothioamide
CID 116509280
1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 66382608
3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide
CID 66377719
[3-(chloromethyl)phenyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376942

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one?
The IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one (CID 66378285) is 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one is CCS(=O)(=O)C1CSCCN1CC(=O)Cc1ccccc1.
What is the InChIKey of 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one?
The InChIKey is COIAANIJRATXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S2/c1-2-21(18,19)15-12-20-9-8-16(15)11-14(17)10-13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3.
What are the key properties of 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one?
1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one has a molecular weight of 327.47 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one is sourced from PubChem (CID 66378285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).