N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide

C7H18N4O3S — CID 104978431

IUPACN'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide
SMILESCCCNS(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-3-4-9-15(13,14)10-5-6(2)7(8)11-12/h6,9-10,12H,3-5H2,1-2H3,(H2,8,11)
InChIKeyCRLUDQKCZALPGW-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.80
Rot. Bonds7

About N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide

N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide (PubChem CID 104978431) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide
PubChem CID104978431
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC NameN'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide
SMILESCCCNS(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-3-4-9-15(13,14)10-5-6(2)7(8)11-12/h6,9-10,12H,3-5H2,1-2H3,(H2,8,11)
InChIKeyCRLUDQKCZALPGW-UHFFFAOYSA-N
XLogP-0.80
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.80
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978432
3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988474
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54991646
3-(Dimethylsulfamoylamino)-2-methylpropanimidamide
CID 64405507
3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204814
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204869
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910647
3-[dimethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910963
3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917181
3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917246
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 76953187
3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 76953191

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide (CID 104978431) is N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide is CCCNS(=O)(=O)NCC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide?
The InChIKey is CRLUDQKCZALPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-3-4-9-15(13,14)10-5-6(2)7(8)11-12/h6,9-10,12H,3-5H2,1-2H3,(H2,8,11).
What are the key properties of N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide?
N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide has a molecular weight of 238.31 g/mol, XLogP of -0.80, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide is sourced from PubChem (CID 104978431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).