4-(butylsulfonylamino)-N'-hydroxybutanimidamide

C8H19N3O3S — CID 76952929

IUPAC4-(butylsulfonylamino)-N'-hydroxybutanimidamide
SMILESCCCCS(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C8H19N3O3S/c1-2-3-7-15(13,14)10-6-4-5-8(9)11-12/h10,12H,2-7H2,1H3,(H2,9,11)
InChIKeyUOJRUVOOHMFRDU-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.23
Rot. Bonds8

About 4-(butylsulfonylamino)-N'-hydroxybutanimidamide

4-(butylsulfonylamino)-N'-hydroxybutanimidamide (PubChem CID 76952929) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-(butylsulfonylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(butylsulfonylamino)-N'-hydroxybutanimidamide
PubChem CID76952929
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name4-(butylsulfonylamino)-N'-hydroxybutanimidamide
SMILESCCCCS(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C8H19N3O3S/c1-2-3-7-15(13,14)10-6-4-5-8(9)11-12/h10,12H,2-7H2,1H3,(H2,9,11)
InChIKeyUOJRUVOOHMFRDU-UHFFFAOYSA-N
XLogP0.23
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.23
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 4-(butylsulfonylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(butylsulfonylamino)-N'-hydroxybutanimidamide (CID 76952929) is 4-(butylsulfonylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(butylsulfonylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(butylsulfonylamino)-N'-hydroxybutanimidamide is CCCCS(=O)(=O)NCCCC(N)=NO.
What is the InChIKey of 4-(butylsulfonylamino)-N'-hydroxybutanimidamide?
The InChIKey is UOJRUVOOHMFRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-2-3-7-15(13,14)10-6-4-5-8(9)11-12/h10,12H,2-7H2,1H3,(H2,9,11).
What are the key properties of 4-(butylsulfonylamino)-N'-hydroxybutanimidamide?
4-(butylsulfonylamino)-N'-hydroxybutanimidamide has a molecular weight of 237.32 g/mol, XLogP of 0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfonylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76952929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).