N'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide

C7H17N3O3S — CID 76953037

IUPACN'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide
SMILESCC(C)S(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C7H17N3O3S/c1-6(2)14(12,13)9-5-3-4-7(8)10-11/h6,9,11H,3-5H2,1-2H3,(H2,8,10)
InChIKeyXQIWUNVVRKBXHH-UHFFFAOYSA-N
MW223.30 g/mol
LogP-0.16
Rot. Bonds6

About N'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide

N'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide (PubChem CID 76953037) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is N'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide
PubChem CID76953037
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC NameN'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide
SMILESCC(C)S(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C7H17N3O3S/c1-6(2)14(12,13)9-5-3-4-7(8)10-11/h6,9,11H,3-5H2,1-2H3,(H2,8,10)
InChIKeyXQIWUNVVRKBXHH-UHFFFAOYSA-N
XLogP-0.16
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-4-(propan-2-ylsulfonylamino)butanimidamide?
The IUPAC name of N'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide (CID 76953037) is N'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide is CC(C)S(=O)(=O)NCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide?
The InChIKey is XQIWUNVVRKBXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-6(2)14(12,13)9-5-3-4-7(8)10-11/h6,9,11H,3-5H2,1-2H3,(H2,8,10).
What are the key properties of N'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide?
N'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide has a molecular weight of 223.30 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(propan-2-ylsulfonylamino)butanimidamide is sourced from PubChem (CID 76953037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).