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

C8H19N3O3S — CID 104873866

IUPACN'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide
SMILESCCCS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C8H19N3O3S/c1-4-5-15(13,14)10-6-8(2,3)7(9)11-12/h10,12H,4-6H2,1-3H3,(H2,9,11)
InChIKeyBTRKCKHPMZWBJE-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.09
Rot. Bonds6

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

N'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide (PubChem CID 104873866) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide
PubChem CID104873866
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC NameN'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide
SMILESCCCS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C8H19N3O3S/c1-4-5-15(13,14)10-6-8(2,3)7(9)11-12/h10,12H,4-6H2,1-3H3,(H2,9,11)
InChIKeyBTRKCKHPMZWBJE-UHFFFAOYSA-N
XLogP0.09
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.09
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide (CID 104873866) is N'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide is CCCS(=O)(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide?
The InChIKey is BTRKCKHPMZWBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-4-5-15(13,14)10-6-8(2,3)7(9)11-12/h10,12H,4-6H2,1-3H3,(H2,9,11).
What are the key properties of N'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide?
N'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide has a molecular weight of 237.32 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide is sourced from PubChem (CID 104873866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).