4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one

C16H24N2OS — CID 115740223

IUPAC4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one
SMILESCC1(C)CN(C(=O)CCC(N)c2ccccc2)CCS1
InChIInChI=1S/C16H24N2OS/c1-16(2)12-18(10-11-20-16)15(19)9-8-14(17)13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3
InChIKeyIYFOGOGPICHQQF-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.82
Rot. Bonds4

About 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one

4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one (PubChem CID 115740223) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one
PubChem CID115740223
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one
SMILESCC1(C)CN(C(=O)CCC(N)c2ccccc2)CCS1
InChIInChI=1S/C16H24N2OS/c1-16(2)12-18(10-11-20-16)15(19)9-8-14(17)13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3
InChIKeyIYFOGOGPICHQQF-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one?
The IUPAC name of 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one (CID 115740223) is 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one?
The canonical SMILES for 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one is CC1(C)CN(C(=O)CCC(N)c2ccccc2)CCS1.
What is the InChIKey of 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one?
The InChIKey is IYFOGOGPICHQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-16(2)12-18(10-11-20-16)15(19)9-8-14(17)13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3.
What are the key properties of 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one?
4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one has a molecular weight of 292.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 115740223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).