(2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one

C18H25N3O2S — CID 97239151

IUPAC(2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CCSCC1
InChIInChI=1S/C18H25N3O2S/c1-15(19-11-13-24-14-12-19)17(22)20-7-9-21(10-8-20)18(23)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3/t15-/m0/s1
InChIKeyXPFARAXUWMISRB-HNNXBMFYSA-N
MW347.48 g/mol
LogP1.41
Rot. Bonds3

About (2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one

(2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one (PubChem CID 97239151) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is (2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one
PubChem CID97239151
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name(2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CCSCC1
InChIInChI=1S/C18H25N3O2S/c1-15(19-11-13-24-14-12-19)17(22)20-7-9-21(10-8-20)18(23)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3/t15-/m0/s1
InChIKeyXPFARAXUWMISRB-HNNXBMFYSA-N
XLogP1.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-thiomorpholin-4-ylpropan-1-one
CID 60863276
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
(2S)-2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119291825
(2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
CID 124588141
(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7994047
(2S)-1-(4-acetylpiperazin-1-yl)-2-phenyl-2-thiomorpholin-4-ylethanone
CID 95151755
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119683429
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119683428
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 18082983

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one (CID 97239151) is (2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one is C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CCSCC1.
What is the InChIKey of (2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one?
The InChIKey is XPFARAXUWMISRB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-15(19-11-13-24-14-12-19)17(22)20-7-9-21(10-8-20)18(23)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one?
(2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one has a molecular weight of 347.48 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 97239151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).