N'-hydroxy-4-(methanesulfonamido)butanimidamide

C5H13N3O3S — CID 76952830

IUPACN'-hydroxy-4-(methanesulfonamido)butanimidamide
SMILESCS(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C5H13N3O3S/c1-12(10,11)7-4-2-3-5(6)8-9/h7,9H,2-4H2,1H3,(H2,6,8)
InChIKeyNOENGKBIIYHCSV-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.94
Rot. Bonds5

About N'-hydroxy-4-(methanesulfonamido)butanimidamide

N'-hydroxy-4-(methanesulfonamido)butanimidamide (PubChem CID 76952830) has the molecular formula C5H13N3O3S and a molecular weight of 195.24 g/mol. Its IUPAC name is N'-hydroxy-4-(methanesulfonamido)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(methanesulfonamido)butanimidamide
PubChem CID76952830
Molecular FormulaC5H13N3O3S
Molecular Weight195.24 g/mol
Exact Mass195.07
IUPAC NameN'-hydroxy-4-(methanesulfonamido)butanimidamide
SMILESCS(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C5H13N3O3S/c1-12(10,11)7-4-2-3-5(6)8-9/h7,9H,2-4H2,1H3,(H2,6,8)
InChIKeyNOENGKBIIYHCSV-UHFFFAOYSA-N
XLogP-0.94
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.94
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-(methanesulfonamido)butanimidamide?
The IUPAC name of N'-hydroxy-4-(methanesulfonamido)butanimidamide (CID 76952830) is N'-hydroxy-4-(methanesulfonamido)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(methanesulfonamido)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(methanesulfonamido)butanimidamide is CS(=O)(=O)NCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-(methanesulfonamido)butanimidamide?
The InChIKey is NOENGKBIIYHCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O3S/c1-12(10,11)7-4-2-3-5(6)8-9/h7,9H,2-4H2,1H3,(H2,6,8).
What are the key properties of N'-hydroxy-4-(methanesulfonamido)butanimidamide?
N'-hydroxy-4-(methanesulfonamido)butanimidamide has a molecular weight of 195.24 g/mol, XLogP of -0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(methanesulfonamido)butanimidamide is sourced from PubChem (CID 76952830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).