2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one

C16H24N2OS — CID 120594140

IUPAC2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)C(C)(N)c2ccccc2)CCS1
InChIInChI=1S/C16H24N2OS/c1-12(2)14-11-18(9-10-20-14)15(19)16(3,17)13-7-5-4-6-8-13/h4-8,12,14H,9-11,17H2,1-3H3
InChIKeyXUGAAJZHJWYLBQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.46
Rot. Bonds3

About 2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one

2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one (PubChem CID 120594140) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
PubChem CID120594140
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)C(C)(N)c2ccccc2)CCS1
InChIInChI=1S/C16H24N2OS/c1-12(2)14-11-18(9-10-20-14)15(19)16(3,17)13-7-5-4-6-8-13/h4-8,12,14H,9-11,17H2,1-3H3
InChIKeyXUGAAJZHJWYLBQ-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one?
The IUPAC name of 2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one (CID 120594140) is 2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one is CC(C)C1CN(C(=O)C(C)(N)c2ccccc2)CCS1.
What is the InChIKey of 2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one?
The InChIKey is XUGAAJZHJWYLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(2)14-11-18(9-10-20-14)15(19)16(3,17)13-7-5-4-6-8-13/h4-8,12,14H,9-11,17H2,1-3H3.
What are the key properties of 2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one?
2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one has a molecular weight of 292.45 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one is sourced from PubChem (CID 120594140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).