3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one

C9H15N3OS — CID 106326461

IUPAC3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCSCC1
InChIInChI=1S/C9H15N3OS/c13-9-10-1-2-12(9)4-3-11-5-7-14-8-6-11/h1-2H,3-8H2,(H,10,13)
InChIKeyIXRNGOMWJBPFTF-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.23
Rot. Bonds3

About 3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one

3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one (PubChem CID 106326461) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one
PubChem CID106326461
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCSCC1
InChIInChI=1S/C9H15N3OS/c13-9-10-1-2-12(9)4-3-11-5-7-14-8-6-11/h1-2H,3-8H2,(H,10,13)
InChIKeyIXRNGOMWJBPFTF-UHFFFAOYSA-N
XLogP0.23
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-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 3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one?
The IUPAC name of 3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one (CID 106326461) is 3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one is O=c1[nH]ccn1CCN1CCSCC1.
What is the InChIKey of 3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one?
The InChIKey is IXRNGOMWJBPFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c13-9-10-1-2-12(9)4-3-11-5-7-14-8-6-11/h1-2H,3-8H2,(H,10,13).
What are the key properties of 3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one?
3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one has a molecular weight of 213.31 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiomorpholin-4-ylethyl)-1H-imidazol-2-one is sourced from PubChem (CID 106326461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).