2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide

C17H29IN6O3S — CID 120661235

IUPAC2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCO1.I
InChIInChI=1S/C17H28N6O3S.HI/c1-15-14-22(11-12-26-15)17(18)20-6-13-27(24,25)23-9-7-21(8-10-23)16-4-2-3-5-19-16;/h2-5,15H,6-14H2,1H3,(H2,18,20);1H
InChIKeyXTCDHIMBKSLUOC-UHFFFAOYSA-N
MW524.43 g/mol
LogP0.19
Rot. Bonds5

About 2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120661235) has the molecular formula C17H29IN6O3S and a molecular weight of 524.43 g/mol. Its IUPAC name is 2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120661235
Molecular FormulaC17H29IN6O3S
Molecular Weight524.43 g/mol
Exact Mass524.11
IUPAC Name2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCO1.I
InChIInChI=1S/C17H28N6O3S.HI/c1-15-14-22(11-12-26-15)17(18)20-6-13-27(24,25)23-9-7-21(8-10-23)16-4-2-3-5-19-16;/h2-5,15H,6-14H2,1H3,(H2,18,20);1H
InChIKeyXTCDHIMBKSLUOC-UHFFFAOYSA-N
XLogP0.19
TPSA104.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.43
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111154228
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol
CID 90723023
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 120661506
1-ethyl-3-(2-phenylethyl)-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]guanidine;hydroiodide
CID 111135724
N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661861
1-benzyl-3-ethyl-1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]guanidine
CID 110950896
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661795
N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119118397
2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662205
2-methyl-1-(4-methylcyclohexyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]guanidine;hydroiodide
CID 111256682

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide (CID 120661235) is 2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/CCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCO1.I.
What is the InChIKey of 2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is XTCDHIMBKSLUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3S.HI/c1-15-14-22(11-12-26-15)17(18)20-6-13-27(24,25)23-9-7-21(8-10-23)16-4-2-3-5-19-16;/h2-5,15H,6-14H2,1H3,(H2,18,20);1H.
What are the key properties of 2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 524.43 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).