2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one

C9H18N2O2S — CID 81088355

IUPAC2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one
SMILESCOCC(N)C(=O)N1CCSCC1C
InChIInChI=1S/C9H18N2O2S/c1-7-6-14-4-3-11(7)9(12)8(10)5-13-2/h7-8H,3-6,10H2,1-2H3
InChIKeySRYZOLWATQUEFF-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.08
Rot. Bonds3

About 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one

2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one (PubChem CID 81088355) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one
PubChem CID81088355
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one
SMILESCOCC(N)C(=O)N1CCSCC1C
InChIInChI=1S/C9H18N2O2S/c1-7-6-14-4-3-11(7)9(12)8(10)5-13-2/h7-8H,3-6,10H2,1-2H3
InChIKeySRYZOLWATQUEFF-UHFFFAOYSA-N
XLogP-0.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one?
The IUPAC name of 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one (CID 81088355) is 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one is COCC(N)C(=O)N1CCSCC1C.
What is the InChIKey of 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one?
The InChIKey is SRYZOLWATQUEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7-6-14-4-3-11(7)9(12)8(10)5-13-2/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one?
2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one has a molecular weight of 218.32 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one is sourced from PubChem (CID 81088355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).