N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide

C10H24N4O3S — CID 54996963

IUPACN'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide
SMILESCC(C)N(C)S(=O)(=O)N(CC/C(N)=N/O)C(C)C
InChIInChI=1S/C10H24N4O3S/c1-8(2)13(5)18(16,17)14(9(3)4)7-6-10(11)12-15/h8-9,15H,6-7H2,1-5H3,(H2,11,12)
InChIKeyCVOXDKGBBLHMKA-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.42
Rot. Bonds7

About N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide

N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide (PubChem CID 54996963) has the molecular formula C10H24N4O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide
PubChem CID54996963
Molecular FormulaC10H24N4O3S
Molecular Weight280.39 g/mol
Exact Mass280.16
IUPAC NameN'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide
SMILESCC(C)N(C)S(=O)(=O)N(CC/C(N)=N/O)C(C)C
InChIInChI=1S/C10H24N4O3S/c1-8(2)13(5)18(16,17)14(9(3)4)7-6-10(11)12-15/h8-9,15H,6-7H2,1-5H3,(H2,11,12)
InChIKeyCVOXDKGBBLHMKA-UHFFFAOYSA-N
XLogP0.42
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.42
H-Bond Donors ≤ 52
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-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide (CID 54996963) is N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide is CC(C)N(C)S(=O)(=O)N(CC/C(N)=N/O)C(C)C.
What is the InChIKey of N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide?
The InChIKey is CVOXDKGBBLHMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O3S/c1-8(2)13(5)18(16,17)14(9(3)4)7-6-10(11)12-15/h8-9,15H,6-7H2,1-5H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide?
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide has a molecular weight of 280.39 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide is sourced from PubChem (CID 54996963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).