N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide

C12H18N4O3S — CID 107801069

IUPACN'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide
SMILESCc1cccc(NS(=O)(=O)N2CCCC2)c1/C(N)=N/O
InChIInChI=1S/C12H18N4O3S/c1-9-5-4-6-10(11(9)12(13)14-17)15-20(18,19)16-7-2-3-8-16/h4-6,15,17H,2-3,7-8H2,1H3,(H2,13,14)
InChIKeyGZZOLYSEKCFLLB-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.84
Rot. Bonds4

About N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide

N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide (PubChem CID 107801069) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide
PubChem CID107801069
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC NameN'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide
SMILESCc1cccc(NS(=O)(=O)N2CCCC2)c1/C(N)=N/O
InChIInChI=1S/C12H18N4O3S/c1-9-5-4-6-10(11(9)12(13)14-17)15-20(18,19)16-7-2-3-8-16/h4-6,15,17H,2-3,7-8H2,1H3,(H2,13,14)
InChIKeyGZZOLYSEKCFLLB-UHFFFAOYSA-N
XLogP0.84
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.84
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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Related Compounds

2-methyl-6-(piperidin-1-ylsulfonylamino)benzenecarbothioamide
CID 107799131
2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide
CID 107801066
N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide
CID 107801051
N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide
CID 81494529
N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide
CID 54936857
N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide
CID 54880821
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
CID 43806682
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-4-methylpiperidine-1-carboxamide
CID 107800956
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859379
3-(azepan-1-ylsulfonylamino)-4-methylbenzenecarbothioamide
CID 62105771
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859380

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide (CID 107801069) is N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide is Cc1cccc(NS(=O)(=O)N2CCCC2)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide?
The InChIKey is GZZOLYSEKCFLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-9-5-4-6-10(11(9)12(13)14-17)15-20(18,19)16-7-2-3-8-16/h4-6,15,17H,2-3,7-8H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide?
N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide has a molecular weight of 298.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide is sourced from PubChem (CID 107801069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).