3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide

C11H18N4O3S — CID 107469971

IUPAC3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1NS(=O)(=O)NC(C)C
InChIInChI=1S/C11H18N4O3S/c1-7(2)14-19(16,17)15-10-8(11(12)13)5-4-6-9(10)18-3/h4-7,14-15H,1-3H3,(H3,12,13)
InChIKeyNHHWITVKYRRKCY-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.63
Rot. Bonds6

About 3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide

3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide (PubChem CID 107469971) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide
PubChem CID107469971
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1NS(=O)(=O)NC(C)C
InChIInChI=1S/C11H18N4O3S/c1-7(2)14-19(16,17)15-10-8(11(12)13)5-4-6-9(10)18-3/h4-7,14-15H,1-3H3,(H3,12,13)
InChIKeyNHHWITVKYRRKCY-UHFFFAOYSA-N
XLogP0.63
TPSA117.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.63
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-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide
CID 107469929
3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide
CID 107469946
ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate
CID 107469921
3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea
CID 107469909
1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea
CID 107469918
N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide
CID 107469923
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarbothioamide
CID 107468665
N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide
CID 107469795
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
2-(cyclohexylsulfonylamino)-3-methoxybenzenecarbothioamide
CID 107468655
2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide
CID 82253340

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide?
The IUPAC name of 3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide (CID 107469971) is 3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide.
What is the SMILES notation for 3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide?
The canonical SMILES for 3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide is [H]/N=C(\N)c1cccc(OC)c1NS(=O)(=O)NC(C)C.
What is the InChIKey of 3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide?
The InChIKey is NHHWITVKYRRKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-7(2)14-19(16,17)15-10-8(11(12)13)5-4-6-9(10)18-3/h4-7,14-15H,1-3H3,(H3,12,13).
What are the key properties of 3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide?
3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide has a molecular weight of 286.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide is sourced from PubChem (CID 107469971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).