1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide

C12H20IN5O2S — CID 110031720

IUPAC1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide
SMILESCN(/C(N)=N/CCNS(=O)(=O)c1cccnc1)C1CC1.I
InChIInChI=1S/C12H19N5O2S.HI/c1-17(10-4-5-10)12(13)15-7-8-16-20(18,19)11-3-2-6-14-9-11;/h2-3,6,9-10,16H,4-5,7-8H2,1H3,(H2,13,15);1H
InChIKeyISJGNBHXBUCIMH-UHFFFAOYSA-N
MW425.30 g/mol
LogP0.39
Rot. Bonds6

About 1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide

1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide (PubChem CID 110031720) has the molecular formula C12H20IN5O2S and a molecular weight of 425.30 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide
PubChem CID110031720
Molecular FormulaC12H20IN5O2S
Molecular Weight425.30 g/mol
Exact Mass425.04
IUPAC Name1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide
SMILESCN(/C(N)=N/CCNS(=O)(=O)c1cccnc1)C1CC1.I
InChIInChI=1S/C12H19N5O2S.HI/c1-17(10-4-5-10)12(13)15-7-8-16-20(18,19)11-3-2-6-14-9-11;/h2-3,6,9-10,16H,4-5,7-8H2,1H3,(H2,13,15);1H
InChIKeyISJGNBHXBUCIMH-UHFFFAOYSA-N
XLogP0.39
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 120973888
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119443531
1-ethyl-3-prop-2-enyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide
CID 136924135
N-propylpyridine-3-sulfonamide
CID 43258995
N-methyl-N-[4-[4-(methylsulfanylmethyl)triazol-1-yl]cyclohexyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 167776990
N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 110029755
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
N,2-diethyl-N'-[2-(pyridin-3-ylsulfonylamino)ethyl]thiomorpholine-4-carboximidamide
CID 109487050
N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119584043
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 110030426

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide (CID 110031720) is 1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide is CN(/C(N)=N/CCNS(=O)(=O)c1cccnc1)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide?
The InChIKey is ISJGNBHXBUCIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S.HI/c1-17(10-4-5-10)12(13)15-7-8-16-20(18,19)11-3-2-6-14-9-11;/h2-3,6,9-10,16H,4-5,7-8H2,1H3,(H2,13,15);1H.
What are the key properties of 1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide?
1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide has a molecular weight of 425.30 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110031720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).