2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide

C16H34IN5S — CID 109486497

IUPAC2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC1CN(/C(=N/C)NCC(C)N2CCN(C)CC2)CCS1.I
InChIInChI=1S/C16H33N5S.HI/c1-5-15-13-21(10-11-22-15)16(17-3)18-12-14(2)20-8-6-19(4)7-9-20;/h14-15H,5-13H2,1-4H3,(H,17,18);1H
InChIKeyCUQGMDJPTQECGH-UHFFFAOYSA-N
MW455.45 g/mol
LogP1.64
Rot. Bonds4

About 2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide

2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109486497) has the molecular formula C16H34IN5S and a molecular weight of 455.45 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109486497
Molecular FormulaC16H34IN5S
Molecular Weight455.45 g/mol
Exact Mass455.16
IUPAC Name2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC1CN(/C(=N/C)NCC(C)N2CCN(C)CC2)CCS1.I
InChIInChI=1S/C16H33N5S.HI/c1-5-15-13-21(10-11-22-15)16(17-3)18-12-14(2)20-8-6-19(4)7-9-20;/h14-15H,5-13H2,1-4H3,(H,17,18);1H
InChIKeyCUQGMDJPTQECGH-UHFFFAOYSA-N
XLogP1.64
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 51.64
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide 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

2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
2-ethyl-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486911
methyl 3-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-2-methylpropanoate
CID 109484742
2-ethyl-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]thiomorpholine-4-carboximidamide
CID 109486720
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109484755
N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489262
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111733982
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide
CID 109484756
2-ethyl-N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486575
2-ethyl-N-(3-fluoropropyl)-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487037
2-ethyl-N'-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109486184
N-butan-2-yl-3-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propanamide;hydroiodide
CID 109484859

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 109486497) is 2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide is CCC1CN(/C(=N/C)NCC(C)N2CCN(C)CC2)CCS1.I.
What is the InChIKey of 2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is CUQGMDJPTQECGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5S.HI/c1-5-15-13-21(10-11-22-15)16(17-3)18-12-14(2)20-8-6-19(4)7-9-20;/h14-15H,5-13H2,1-4H3,(H,17,18);1H.
What are the key properties of 2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 455.45 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109486497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).