2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one

C14H20N2OS — CID 114925089

IUPAC2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
SMILESNC(CCc1ccccc1)C(=O)N1CCSCC1
InChIInChI=1S/C14H20N2OS/c15-13(7-6-12-4-2-1-3-5-12)14(17)16-8-10-18-11-9-16/h1-5,13H,6-11,15H2
InChIKeyXZXCQWKKFPFGQN-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one

2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one (PubChem CID 114925089) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
PubChem CID114925089
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
SMILESNC(CCc1ccccc1)C(=O)N1CCSCC1
InChIInChI=1S/C14H20N2OS/c15-13(7-6-12-4-2-1-3-5-12)14(17)16-8-10-18-11-9-16/h1-5,13H,6-11,15H2
InChIKeyXZXCQWKKFPFGQN-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-4-carboxylic acid
CID 104984119
2-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 114928192
(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one
CID 104984443
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one
CID 104983889
(2S)-2-amino-4-phenyl-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one
CID 104984171
(2R)-2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbutan-1-one
CID 69254235
(2S)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 104984754
4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid
CID 64895022
(2S)-2-amino-1-(3,3-dimethylpiperidin-1-yl)-4-phenylbutan-1-one
CID 104984439
4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
CID 104984264
(2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one
CID 155955397
(4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104984151

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one?
The IUPAC name of 2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one (CID 114925089) is 2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one?
The canonical SMILES for 2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one is NC(CCc1ccccc1)C(=O)N1CCSCC1.
What is the InChIKey of 2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one?
The InChIKey is XZXCQWKKFPFGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c15-13(7-6-12-4-2-1-3-5-12)14(17)16-8-10-18-11-9-16/h1-5,13H,6-11,15H2.
What are the key properties of 2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one?
2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one has a molecular weight of 264.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one is sourced from PubChem (CID 114925089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).