N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide

C12H17N3O3S — CID 130455338

IUPACN'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide
SMILESCC1(C)C(C(N)=NO)C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H17N3O3S/c1-12(2)9(10(12)11(13)15-16)7-3-5-8(6-4-7)19(14,17)18/h3-6,9-10,16H,1-2H3,(H2,13,15)(H2,14,17,18)
InChIKeyLBDLAUVSOMVOIH-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.82
Rot. Bonds3

About N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide

N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide (PubChem CID 130455338) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide
PubChem CID130455338
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide
SMILESCC1(C)C(C(N)=NO)C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H17N3O3S/c1-12(2)9(10(12)11(13)15-16)7-3-5-8(6-4-7)19(14,17)18/h3-6,9-10,16H,1-2H3,(H2,13,15)(H2,14,17,18)
InChIKeyLBDLAUVSOMVOIH-UHFFFAOYSA-N
XLogP0.82
TPSA118.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.82
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide (CID 130455338) is N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide is CC1(C)C(C(N)=NO)C1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide?
The InChIKey is LBDLAUVSOMVOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-12(2)9(10(12)11(13)15-16)7-3-5-8(6-4-7)19(14,17)18/h3-6,9-10,16H,1-2H3,(H2,13,15)(H2,14,17,18).
What are the key properties of N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide?
N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide has a molecular weight of 283.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide is sourced from PubChem (CID 130455338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).