2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone

C12H23N3O2S — CID 138608096

IUPAC2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone
SMILESCC(S)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C12H23N3O2S/c1-11(18)14-2-4-15(5-3-14)12(16)10-13-6-8-17-9-7-13/h11,18H,2-10H2,1H3
InChIKeyILWTYEMTONODBV-UHFFFAOYSA-N
MW273.40 g/mol
LogP-0.26
Rot. Bonds3

About 2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone

2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone (PubChem CID 138608096) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone
PubChem CID138608096
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone
SMILESCC(S)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C12H23N3O2S/c1-11(18)14-2-4-15(5-3-14)12(16)10-13-6-8-17-9-7-13/h11,18H,2-10H2,1H3
InChIKeyILWTYEMTONODBV-UHFFFAOYSA-N
XLogP-0.26
TPSA36.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone 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-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone (CID 138608096) is 2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone is CC(S)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone?
The InChIKey is ILWTYEMTONODBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-11(18)14-2-4-15(5-3-14)12(16)10-13-6-8-17-9-7-13/h11,18H,2-10H2,1H3.
What are the key properties of 2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone?
2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone has a molecular weight of 273.40 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 138608096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).