4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide

C6H16N4O3S — CID 76953329

IUPAC4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCN(C)S(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-10(2)14(12,13)8-5-3-4-6(7)9-11/h8,11H,3-5H2,1-2H3,(H2,7,9)
InChIKeyNDPYAIQRTMHLLV-UHFFFAOYSA-N
MW224.29 g/mol
LogP-1.09
Rot. Bonds6

About 4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide

4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide (PubChem CID 76953329) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
PubChem CID76953329
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC Name4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCN(C)S(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-10(2)14(12,13)8-5-3-4-6(7)9-11/h8,11H,3-5H2,1-2H3,(H2,7,9)
InChIKeyNDPYAIQRTMHLLV-UHFFFAOYSA-N
XLogP-1.09
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-1.09
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-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide (CID 76953329) is 4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide is CN(C)S(=O)(=O)NCCCC(N)=NO.
What is the InChIKey of 4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide?
The InChIKey is NDPYAIQRTMHLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-10(2)14(12,13)8-5-3-4-6(7)9-11/h8,11H,3-5H2,1-2H3,(H2,7,9).
What are the key properties of 4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide?
4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide has a molecular weight of 224.29 g/mol, XLogP of -1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76953329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).