1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine

C10H17N3O2S3 — CID 66384579

IUPAC1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CCSCC2S(C)(=O)=O)s1
InChIInChI=1S/C10H17N3O2S3/c1-7(11)8-5-12-10(17-8)13-3-4-16-6-9(13)18(2,14)15/h5,7,9H,3-4,6,11H2,1-2H3
InChIKeyYUZYGGDICBSZEX-UHFFFAOYSA-N
MW307.47 g/mol
LogP1.09
Rot. Bonds3

About 1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine

1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 66384579) has the molecular formula C10H17N3O2S3 and a molecular weight of 307.47 g/mol. Its IUPAC name is 1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID66384579
Molecular FormulaC10H17N3O2S3
Molecular Weight307.47 g/mol
Exact Mass307.05
IUPAC Name1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CCSCC2S(C)(=O)=O)s1
InChIInChI=1S/C10H17N3O2S3/c1-7(11)8-5-12-10(17-8)13-3-4-16-6-9(13)18(2,14)15/h5,7,9H,3-4,6,11H2,1-2H3
InChIKeyYUZYGGDICBSZEX-UHFFFAOYSA-N
XLogP1.09
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine 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 1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 66384579) is 1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(N2CCSCC2S(C)(=O)=O)s1.
What is the InChIKey of 1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is YUZYGGDICBSZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S3/c1-7(11)8-5-12-10(17-8)13-3-4-16-6-9(13)18(2,14)15/h5,7,9H,3-4,6,11H2,1-2H3.
What are the key properties of 1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 307.47 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 66384579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).