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

C11H19IN4O2S2 — CID 111031033

IUPACN'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(S(N)(=O)=O)s1)N1CCCCC1
InChIInChI=1S/C11H18N4O2S2.HI/c12-11(15-6-2-1-3-7-15)14-8-9-4-5-10(18-9)19(13,16)17;/h4-5H,1-3,6-8H2,(H2,12,14)(H2,13,16,17);1H
InChIKeyMAOIYICZDVHPIY-UHFFFAOYSA-N
MW430.34 g/mol
LogP1.31
Rot. Bonds3

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

N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111031033) has the molecular formula C11H19IN4O2S2 and a molecular weight of 430.34 g/mol. Its IUPAC name is N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111031033
Molecular FormulaC11H19IN4O2S2
Molecular Weight430.34 g/mol
Exact Mass430.00
IUPAC NameN'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(S(N)(=O)=O)s1)N1CCCCC1
InChIInChI=1S/C11H18N4O2S2.HI/c12-11(15-6-2-1-3-7-15)14-8-9-4-5-10(18-9)19(13,16)17;/h4-5H,1-3,6-8H2,(H2,12,14)(H2,13,16,17);1H
InChIKeyMAOIYICZDVHPIY-UHFFFAOYSA-N
XLogP1.31
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-pyrimidin-2-yl-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119117372
4-methyl-N'-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110920625
N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111046068
5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 60759039
4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110919761
1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 119117350
2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662205
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 113224273
2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111038588
1,1-dimethyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 100673370
1-ethyl-3-[(1-piperidin-1-ylcyclohexyl)methyl]-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
CID 111292285
N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119119247

Frequently Asked Questions

What is the IUPAC name of N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111031033) is N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\Cc1ccc(S(N)(=O)=O)s1)N1CCCCC1.
What is the InChIKey of N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is MAOIYICZDVHPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2.HI/c12-11(15-6-2-1-3-7-15)14-8-9-4-5-10(18-9)19(13,16)17;/h4-5H,1-3,6-8H2,(H2,12,14)(H2,13,16,17);1H.
What are the key properties of N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 430.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111031033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).