N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide

C15H24IN3OS — CID 136589461

IUPACN-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NC1CC(OC)C1)N1CCCC1c1ccsc1.I
InChIInChI=1S/C15H23N3OS.HI/c1-16-15(17-12-8-13(9-12)19-2)18-6-3-4-14(18)11-5-7-20-10-11;/h5,7,10,12-14H,3-4,6,8-9H2,1-2H3,(H,16,17);1H
InChIKeyYOYKMDNCUVGPER-UHFFFAOYSA-N
MW421.35 g/mol
LogP3.26
Rot. Bonds3

About N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide

N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 136589461) has the molecular formula C15H24IN3OS and a molecular weight of 421.35 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID136589461
Molecular FormulaC15H24IN3OS
Molecular Weight421.35 g/mol
Exact Mass421.07
IUPAC NameN-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NC1CC(OC)C1)N1CCCC1c1ccsc1.I
InChIInChI=1S/C15H23N3OS.HI/c1-16-15(17-12-8-13(9-12)19-2)18-6-3-4-14(18)11-5-7-20-10-11;/h5,7,10,12-14H,3-4,6,8-9H2,1-2H3,(H,16,17);1H
InChIKeyYOYKMDNCUVGPER-UHFFFAOYSA-N
XLogP3.26
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 136589461) is N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NC1CC(OC)C1)N1CCCC1c1ccsc1.I.
What is the InChIKey of N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is YOYKMDNCUVGPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS.HI/c1-16-15(17-12-8-13(9-12)19-2)18-6-3-4-14(18)11-5-7-20-10-11;/h5,7,10,12-14H,3-4,6,8-9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide?
N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 421.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 136589461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).