N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide

C17H33N5OS — CID 109486786

IUPACN'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCN1CCN(C(C)=O)CC1)N1CCSC(CC)C1
InChIInChI=1S/C17H33N5OS/c1-4-16-14-22(12-13-24-16)17(18-5-2)19-6-7-20-8-10-21(11-9-20)15(3)23/h16H,4-14H2,1-3H3,(H,18,19)
InChIKeyIWXHHCFCVIGMJU-UHFFFAOYSA-N
MW355.55 g/mol
LogP0.94
Rot. Bonds5

About N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide

N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide (PubChem CID 109486786) has the molecular formula C17H33N5OS and a molecular weight of 355.55 g/mol. Its IUPAC name is N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
PubChem CID109486786
Molecular FormulaC17H33N5OS
Molecular Weight355.55 g/mol
Exact Mass355.24
IUPAC NameN'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCN1CCN(C(C)=O)CC1)N1CCSC(CC)C1
InChIInChI=1S/C17H33N5OS/c1-4-16-14-22(12-13-24-16)17(18-5-2)19-6-7-20-8-10-21(11-9-20)15(3)23/h16H,4-14H2,1-3H3,(H,18,19)
InChIKeyIWXHHCFCVIGMJU-UHFFFAOYSA-N
XLogP0.94
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109486800
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide
CID 109485254
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485266
2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 109485909
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109486921
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111737903
N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484928
4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110962582
N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide
CID 109487070
1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485608

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide (CID 109486786) is N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide is CCN/C(=N\CCN1CCN(C(C)=O)CC1)N1CCSC(CC)C1.
What is the InChIKey of N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide?
The InChIKey is IWXHHCFCVIGMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5OS/c1-4-16-14-22(12-13-24-16)17(18-5-2)19-6-7-20-8-10-21(11-9-20)15(3)23/h16H,4-14H2,1-3H3,(H,18,19).
What are the key properties of N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide?
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide has a molecular weight of 355.55 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109486786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).