N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide

C8H20N4O3S — CID 104978573

IUPACN'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide
SMILESCCCNS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-4-5-10-16(14,15)11-6-8(2,3)7(9)12-13/h10-11,13H,4-6H2,1-3H3,(H2,9,12)
InChIKeyFSFGSESIAROWRE-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.41
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide

N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide (PubChem CID 104978573) has the molecular formula C8H20N4O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide
PubChem CID104978573
Molecular FormulaC8H20N4O3S
Molecular Weight252.34 g/mol
Exact Mass252.13
IUPAC NameN'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide
SMILESCCCNS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-4-5-10-16(14,15)11-6-8(2,3)7(9)12-13/h10-11,13H,4-6H2,1-3H3,(H2,9,12)
InChIKeyFSFGSESIAROWRE-UHFFFAOYSA-N
XLogP-0.41
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.41
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'}

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Related Compounds

3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76953214
3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76953317
N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 104873849
3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104873865
N'-hydroxy-2-methyl-2-(propylsulfamoylamino)propanimidamide
CID 104978290
2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978291
N'-hydroxy-2-methyl-3-[methyl(propylsulfamoyl)amino]propanimidamide
CID 104978362
3-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978410
4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978417
N'-hydroxy-4-(propylsulfamoylamino)butanimidamide
CID 104978418
4-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978419
N'-hydroxy-3-(methylsulfamoylamino)propanimidamide
CID 104978422

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide (CID 104978573) is N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide is CCCNS(=O)(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide?
The InChIKey is FSFGSESIAROWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3S/c1-4-5-10-16(14,15)11-6-8(2,3)7(9)12-13/h10-11,13H,4-6H2,1-3H3,(H2,9,12).
What are the key properties of N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide?
N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide has a molecular weight of 252.34 g/mol, XLogP of -0.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide is sourced from PubChem (CID 104978573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).