N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide

C14H26N4O2S — CID 119941212

IUPACN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide
SMILESCN1CCN(C(=O)CCNC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H26N4O2S/c1-17-5-7-18(8-6-17)14(20)2-3-16-13(19)10-12-11-21-9-4-15-12/h12,15H,2-11H2,1H3,(H,16,19)
InChIKeyWUTIFEVKUAACGH-UHFFFAOYSA-N
MW314.46 g/mol
LogP-0.64
Rot. Bonds5

About N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119941212) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119941212
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide
SMILESCN1CCN(C(=O)CCNC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H26N4O2S/c1-17-5-7-18(8-6-17)14(20)2-3-16-13(19)10-12-11-21-9-4-15-12/h12,15H,2-11H2,1H3,(H,16,19)
InChIKeyWUTIFEVKUAACGH-UHFFFAOYSA-N
XLogP-0.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119941781
N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119942620
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420689
N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 66420455
N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119941053
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-[3-(azepan-1-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940727
ethyl 4-[(2-thiomorpholin-3-ylacetyl)amino]butanoate
CID 66419936
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119941252
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide (CID 119941212) is N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide is CN1CCN(C(=O)CCNC(=O)CC2CSCCN2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is WUTIFEVKUAACGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-17-5-7-18(8-6-17)14(20)2-3-16-13(19)10-12-11-21-9-4-15-12/h12,15H,2-11H2,1H3,(H,16,19).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide?
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 314.46 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).