4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C16H27IN4O3S2 — CID 110919761

IUPAC4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1.I
InChIInChI=1S/C16H26N4O3S2.HI/c1-13-4-6-19(7-5-13)16(17)18-12-14-2-3-15(24-14)25(21,22)20-8-10-23-11-9-20;/h2-3,13H,4-12H2,1H3,(H2,17,18);1H
InChIKeyONUFJRJMPFZBRL-UHFFFAOYSA-N
MW514.46 g/mol
LogP1.93
Rot. Bonds4

About 4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110919761) has the molecular formula C16H27IN4O3S2 and a molecular weight of 514.46 g/mol. Its IUPAC name is 4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110919761
Molecular FormulaC16H27IN4O3S2
Molecular Weight514.46 g/mol
Exact Mass514.06
IUPAC Name4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1.I
InChIInChI=1S/C16H26N4O3S2.HI/c1-13-4-6-19(7-5-13)16(17)18-12-14-2-3-15(24-14)25(21,22)20-8-10-23-11-9-20;/h2-3,13H,4-12H2,1H3,(H2,17,18);1H
InChIKeyONUFJRJMPFZBRL-UHFFFAOYSA-N
XLogP1.93
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-methyl-N'-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110920625
1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 111064256
N-ethyl-3-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111143849
1-(3,4-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111064253
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111031033
2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662205
2-methyl-1-(4-methylcyclohexyl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111256900
1-butyl-3-ethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111149517
2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine
CID 119118993
1,1-dimethyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 100673370
2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111038588

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 110919761) is 4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1.I.
What is the InChIKey of 4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is ONUFJRJMPFZBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S2.HI/c1-13-4-6-19(7-5-13)16(17)18-12-14-2-3-15(24-14)25(21,22)20-8-10-23-11-9-20;/h2-3,13H,4-12H2,1H3,(H2,17,18);1H.
What are the key properties of 4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 514.46 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110919761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).