2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine

C13H21N5O2S — CID 120973639

IUPAC2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine
SMILESCS(=O)(=O)N1CCCCC1C/N=C(\N)Nc1ccccn1
InChIInChI=1S/C13H21N5O2S/c1-21(19,20)18-9-5-3-6-11(18)10-16-13(14)17-12-7-2-4-8-15-12/h2,4,7-8,11H,3,5-6,9-10H2,1H3,(H3,14,15,16,17)
InChIKeyUUYPWLBWMKYLHB-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.62
Rot. Bonds4

About 2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine

2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine (PubChem CID 120973639) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine
PubChem CID120973639
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine
SMILESCS(=O)(=O)N1CCCCC1C/N=C(\N)Nc1ccccn1
InChIInChI=1S/C13H21N5O2S/c1-21(19,20)18-9-5-3-6-11(18)10-16-13(14)17-12-7-2-4-8-15-12/h2,4,7-8,11H,3,5-6,9-10H2,1H3,(H3,14,15,16,17)
InChIKeyUUYPWLBWMKYLHB-UHFFFAOYSA-N
XLogP0.62
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.62
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'}

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Related Compounds

2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 119146849
1-(3-chloro-4-methoxyphenyl)-2-[(1-methylsulfonylpiperidin-2-yl)methyl]guanidine
CID 120973631
2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119161153
2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 122097073
2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119147770
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119120
4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837595
2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762620
6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine
CID 110269570
1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 159988634
2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120727880
4-(4-fluorophenyl)-N'-[(1-methylsulfonylpiperidin-2-yl)methyl]piperazine-1-carboximidamide
CID 120973595

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine?
The IUPAC name of 2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine (CID 120973639) is 2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine is CS(=O)(=O)N1CCCCC1C/N=C(\N)Nc1ccccn1.
What is the InChIKey of 2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine?
The InChIKey is UUYPWLBWMKYLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-21(19,20)18-9-5-3-6-11(18)10-16-13(14)17-12-7-2-4-8-15-12/h2,4,7-8,11H,3,5-6,9-10H2,1H3,(H3,14,15,16,17).
What are the key properties of 2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine?
2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine has a molecular weight of 311.41 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine is sourced from PubChem (CID 120973639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).