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

C14H28N4OS — CID 119942620

IUPACN-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(CNC(=O)CC1CSCCN1)N1CCN(C)CC1
InChIInChI=1S/C14H28N4OS/c1-12(18-6-4-17(2)5-7-18)10-16-14(19)9-13-11-20-8-3-15-13/h12-13,15H,3-11H2,1-2H3,(H,16,19)
InChIKeyOAPZCJQQWKMMFE-UHFFFAOYSA-N
MW300.47 g/mol
LogP-0.17
Rot. Bonds5

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

N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119942620) has the molecular formula C14H28N4OS and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119942620
Molecular FormulaC14H28N4OS
Molecular Weight300.47 g/mol
Exact Mass300.20
IUPAC NameN-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(CNC(=O)CC1CSCCN1)N1CCN(C)CC1
InChIInChI=1S/C14H28N4OS/c1-12(18-6-4-17(2)5-7-18)10-16-14(19)9-13-11-20-8-3-15-13/h12-13,15H,3-11H2,1-2H3,(H,16,19)
InChIKeyOAPZCJQQWKMMFE-UHFFFAOYSA-N
XLogP-0.17
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methylpiperazin-1-yl)propyl]-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-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941703
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide
CID 119941212
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119942614
N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940987
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 106175845
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide
CID 82917775
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420689
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
CID 66423008

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide (CID 119942620) is N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide is CC(CNC(=O)CC1CSCCN1)N1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is OAPZCJQQWKMMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS/c1-12(18-6-4-17(2)5-7-18)10-16-14(19)9-13-11-20-8-3-15-13/h12-13,15H,3-11H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 300.47 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119942620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).