N'-hydroxy-2-(methylsulfamoylamino)propanimidamide

C4H12N4O3S — CID 104978263

IUPACN'-hydroxy-2-(methylsulfamoylamino)propanimidamide
SMILESCNS(=O)(=O)NC(C)C(N)=NO
InChIInChI=1S/C4H12N4O3S/c1-3(4(5)7-9)8-12(10,11)6-2/h3,6,8-9H,1-2H3,(H2,5,7)
InChIKeySPBKJTDVAKYPBQ-UHFFFAOYSA-N
MW196.23 g/mol
LogP-1.82
Rot. Bonds4

About N'-hydroxy-2-(methylsulfamoylamino)propanimidamide

N'-hydroxy-2-(methylsulfamoylamino)propanimidamide (PubChem CID 104978263) has the molecular formula C4H12N4O3S and a molecular weight of 196.23 g/mol. Its IUPAC name is N'-hydroxy-2-(methylsulfamoylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(methylsulfamoylamino)propanimidamide
PubChem CID104978263
Molecular FormulaC4H12N4O3S
Molecular Weight196.23 g/mol
Exact Mass196.06
IUPAC NameN'-hydroxy-2-(methylsulfamoylamino)propanimidamide
SMILESCNS(=O)(=O)NC(C)C(N)=NO
InChIInChI=1S/C4H12N4O3S/c1-3(4(5)7-9)8-12(10,11)6-2/h3,6,8-9H,1-2H3,(H2,5,7)
InChIKeySPBKJTDVAKYPBQ-UHFFFAOYSA-N
XLogP-1.82
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
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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Related Compounds

N'-hydroxy-3-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978521
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide
CID 77031758
3-(methylsulfamoylamino)butanethioamide
CID 114808266
N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide
CID 77029418
2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
CID 77038489
N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide
CID 77029950
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide
CID 77032361
2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide
CID 77038656
2-cyclohexyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
CID 104978261
N'-hydroxy-2-(3-methoxypropylsulfonylamino)-3-methylbutanimidamide
CID 77038730
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
N'-hydroxy-3-(methylsulfamoylamino)propanimidamide
CID 104978422

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(methylsulfamoylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-(methylsulfamoylamino)propanimidamide (CID 104978263) is N'-hydroxy-2-(methylsulfamoylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(methylsulfamoylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(methylsulfamoylamino)propanimidamide is CNS(=O)(=O)NC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(methylsulfamoylamino)propanimidamide?
The InChIKey is SPBKJTDVAKYPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4O3S/c1-3(4(5)7-9)8-12(10,11)6-2/h3,6,8-9H,1-2H3,(H2,5,7).
What are the key properties of N'-hydroxy-2-(methylsulfamoylamino)propanimidamide?
N'-hydroxy-2-(methylsulfamoylamino)propanimidamide has a molecular weight of 196.23 g/mol, XLogP of -1.82, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(methylsulfamoylamino)propanimidamide is sourced from PubChem (CID 104978263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).