1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide

C11H17IN4O2S — CID 120603117

IUPAC1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCS(=O)(=O)c1cccnc1C/N=C(\N)NC1CC1.I
InChIInChI=1S/C11H16N4O2S.HI/c1-18(16,17)10-3-2-6-13-9(10)7-14-11(12)15-8-4-5-8;/h2-3,6,8H,4-5,7H2,1H3,(H3,12,14,15);1H
InChIKeyDEWYJDRZFGSZKV-UHFFFAOYSA-N
MW396.25 g/mol
LogP0.67
Rot. Bonds4

About 1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide

1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 120603117) has the molecular formula C11H17IN4O2S and a molecular weight of 396.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID120603117
Molecular FormulaC11H17IN4O2S
Molecular Weight396.25 g/mol
Exact Mass396.01
IUPAC Name1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCS(=O)(=O)c1cccnc1C/N=C(\N)NC1CC1.I
InChIInChI=1S/C11H16N4O2S.HI/c1-18(16,17)10-3-2-6-13-9(10)7-14-11(12)15-8-4-5-8;/h2-3,6,8H,4-5,7H2,1H3,(H3,12,14,15);1H
InChIKeyDEWYJDRZFGSZKV-UHFFFAOYSA-N
XLogP0.67
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 50.67
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

1-(cyclobutylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine
CID 120603078
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine
CID 120603094
1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine
CID 122098192
1-cyclopropyl-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 62364011
1-cyclopentyl-2-[[2-(methylsulfonylmethyl)phenyl]methyl]guanidine
CID 119146547
N-cyclopropyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114598969
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 119118530
N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
CID 114598970
1-cyclohexyl-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111050353
1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine
CID 122082620

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide (CID 120603117) is 1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide is CS(=O)(=O)c1cccnc1C/N=C(\N)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is DEWYJDRZFGSZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S.HI/c1-18(16,17)10-3-2-6-13-9(10)7-14-11(12)15-8-4-5-8;/h2-3,6,8H,4-5,7H2,1H3,(H3,12,14,15);1H.
What are the key properties of 1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide?
1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 396.25 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 120603117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).