2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine

C11H18N4O3S — CID 68936157

IUPAC2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine
SMILESCC(C)(CO)NS(=O)(=O)c1cccc(N=C(N)N)c1
InChIInChI=1S/C11H18N4O3S/c1-11(2,7-16)15-19(17,18)9-5-3-4-8(6-9)14-10(12)13/h3-6,15-16H,7H2,1-2H3,(H4,12,13,14)
InChIKeyVGSVPIGOECJUCP-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.36
Rot. Bonds5

About 2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine

2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine (PubChem CID 68936157) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine.

Molecular Properties

Compound Name2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine
PubChem CID68936157
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine
SMILESCC(C)(CO)NS(=O)(=O)c1cccc(N=C(N)N)c1
InChIInChI=1S/C11H18N4O3S/c1-11(2,7-16)15-19(17,18)9-5-3-4-8(6-9)14-10(12)13/h3-6,15-16H,7H2,1-2H3,(H4,12,13,14)
InChIKeyVGSVPIGOECJUCP-UHFFFAOYSA-N
XLogP-0.36
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
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

3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498666
2-(3-methylsulfonylphenyl)guanidine;nitric acid
CID 67269255
N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 39388201
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106606276
2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 1154512
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81438341
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 43501788
3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 16790437
3-methyl-3-[(3-sulfamoylphenyl)sulfonylamino]butanoic acid
CID 64670981
bis(2-(3-methylphenyl)guanidine);sulfuric acid
CID 131842572
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide
CID 39389642

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine?
The IUPAC name of 2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine (CID 68936157) is 2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine.
What is the SMILES notation for 2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine?
The canonical SMILES for 2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine is CC(C)(CO)NS(=O)(=O)c1cccc(N=C(N)N)c1.
What is the InChIKey of 2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine?
The InChIKey is VGSVPIGOECJUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-11(2,7-16)15-19(17,18)9-5-3-4-8(6-9)14-10(12)13/h3-6,15-16H,7H2,1-2H3,(H4,12,13,14).
What are the key properties of 2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine?
2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine has a molecular weight of 286.36 g/mol, XLogP of -0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine is sourced from PubChem (CID 68936157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).