2-amino-1-thiomorpholin-4-ylpropan-1-one

C7H14N2OS — CID 43210683

IUPAC2-amino-1-thiomorpholin-4-ylpropan-1-one
SMILESCC(N)C(=O)N1CCSCC1
InChIInChI=1S/C7H14N2OS/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5,8H2,1H3
InChIKeyPSBMXHAXFVRGAN-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.09
Rot. Bonds1

About 2-amino-1-thiomorpholin-4-ylpropan-1-one

2-amino-1-thiomorpholin-4-ylpropan-1-one (PubChem CID 43210683) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 2-amino-1-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-thiomorpholin-4-ylpropan-1-one
PubChem CID43210683
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name2-amino-1-thiomorpholin-4-ylpropan-1-one
SMILESCC(N)C(=O)N1CCSCC1
InChIInChI=1S/C7H14N2OS/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5,8H2,1H3
InChIKeyPSBMXHAXFVRGAN-UHFFFAOYSA-N
XLogP-0.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-thiomorpholin-4-ylpropan-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-1-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 2-amino-1-thiomorpholin-4-ylpropan-1-one (CID 43210683) is 2-amino-1-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-amino-1-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 2-amino-1-thiomorpholin-4-ylpropan-1-one is CC(N)C(=O)N1CCSCC1.
What is the InChIKey of 2-amino-1-thiomorpholin-4-ylpropan-1-one?
The InChIKey is PSBMXHAXFVRGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5,8H2,1H3.
What are the key properties of 2-amino-1-thiomorpholin-4-ylpropan-1-one?
2-amino-1-thiomorpholin-4-ylpropan-1-one has a molecular weight of 174.27 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 43210683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).