2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine

C12H20N4O2S — CID 63859317

IUPAC2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine
SMILESCC(C)(C/N=C(\N)Nc1ccccc1)NS(C)(=O)=O
InChIInChI=1S/C12H20N4O2S/c1-12(2,16-19(3,17)18)9-14-11(13)15-10-7-5-4-6-8-10/h4-8,16H,9H2,1-3H3,(H3,13,14,15)
InChIKeyIXHMDZWHGALNQF-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.74
Rot. Bonds5

About 2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine

2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine (PubChem CID 63859317) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine
PubChem CID63859317
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine
SMILESCC(C)(C/N=C(\N)Nc1ccccc1)NS(C)(=O)=O
InChIInChI=1S/C12H20N4O2S/c1-12(2,16-19(3,17)18)9-14-11(13)15-10-7-5-4-6-8-10/h4-8,16H,9H2,1-3H3,(H3,13,14,15)
InChIKeyIXHMDZWHGALNQF-UHFFFAOYSA-N
XLogP0.74
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-methyl-2-methylsulfanylpropyl)-1-phenylguanidine
CID 111478633
2-(2-methoxy-2-methylpropyl)-1-phenylguanidine
CID 111465545
1-phenyl-2-(2,2,3-trimethylbutyl)guanidine
CID 105412944
2-(2-tert-butylsulfonylethyl)-1-phenylguanidine;hydroiodide
CID 111123503
2-(4-hydroxy-2,2-dimethylbutyl)-1-phenylguanidine;hydroiodide
CID 111478598
2-(3-methylsulfonylpropyl)-1-phenylguanidine;hydroiodide
CID 110912521
1-phenyl-2-(2-sulfamoylethyl)guanidine
CID 62364508
2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111110801
2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine
CID 78963226
1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 110912467
1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803955
2-[(1-methylsulfonylcyclopentyl)methyl]-1-phenylguanidine;hydroiodide
CID 120973744

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine (CID 63859317) is 2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine is CC(C)(C/N=C(\N)Nc1ccccc1)NS(C)(=O)=O.
What is the InChIKey of 2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine?
The InChIKey is IXHMDZWHGALNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-12(2,16-19(3,17)18)9-14-11(13)15-10-7-5-4-6-8-10/h4-8,16H,9H2,1-3H3,(H3,13,14,15).
What are the key properties of 2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine?
2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine has a molecular weight of 284.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine is sourced from PubChem (CID 63859317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).