N'-hydroxy-3-(methanesulfonamido)propanimidamide

C4H11N3O3S — CID 86586149

IUPACN'-hydroxy-3-(methanesulfonamido)propanimidamide
SMILESCS(=O)(=O)NCC/C(N)=N\O
InChIInChI=1S/C4H11N3O3S/c1-11(9,10)6-3-2-4(5)7-8/h6,8H,2-3H2,1H3,(H2,5,7)
InChIKeyWXVLQYIBCHOMFT-UHFFFAOYSA-N
MW181.22 g/mol
LogP-1.33
Rot. Bonds4

About N'-hydroxy-3-(methanesulfonamido)propanimidamide

N'-hydroxy-3-(methanesulfonamido)propanimidamide (PubChem CID 86586149) has the molecular formula C4H11N3O3S and a molecular weight of 181.22 g/mol. Its IUPAC name is N'-hydroxy-3-(methanesulfonamido)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(methanesulfonamido)propanimidamide
PubChem CID86586149
Molecular FormulaC4H11N3O3S
Molecular Weight181.22 g/mol
Exact Mass181.05
IUPAC NameN'-hydroxy-3-(methanesulfonamido)propanimidamide
SMILESCS(=O)(=O)NCC/C(N)=N\O
InChIInChI=1S/C4H11N3O3S/c1-11(9,10)6-3-2-4(5)7-8/h6,8H,2-3H2,1H3,(H2,5,7)
InChIKeyWXVLQYIBCHOMFT-UHFFFAOYSA-N
XLogP-1.33
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 5-1.33
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-3-(methanesulfonamido)propanimidamide?
The IUPAC name of N'-hydroxy-3-(methanesulfonamido)propanimidamide (CID 86586149) is N'-hydroxy-3-(methanesulfonamido)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(methanesulfonamido)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(methanesulfonamido)propanimidamide is CS(=O)(=O)NCC/C(N)=N\O.
What is the InChIKey of N'-hydroxy-3-(methanesulfonamido)propanimidamide?
The InChIKey is WXVLQYIBCHOMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O3S/c1-11(9,10)6-3-2-4(5)7-8/h6,8H,2-3H2,1H3,(H2,5,7).
What are the key properties of N'-hydroxy-3-(methanesulfonamido)propanimidamide?
N'-hydroxy-3-(methanesulfonamido)propanimidamide has a molecular weight of 181.22 g/mol, XLogP of -1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(methanesulfonamido)propanimidamide is sourced from PubChem (CID 86586149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).