N'-hydroxy-3-(methylsulfamoylamino)propanimidamide

C4H12N4O3S — CID 104978422

IUPACN'-hydroxy-3-(methylsulfamoylamino)propanimidamide
SMILESCNS(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C4H12N4O3S/c1-6-12(10,11)7-3-2-4(5)8-9/h6-7,9H,2-3H2,1H3,(H2,5,8)
InChIKeyFWEFIDPBIRVJOX-UHFFFAOYSA-N
MW196.23 g/mol
LogP-1.82
Rot. Bonds5

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

N'-hydroxy-3-(methylsulfamoylamino)propanimidamide (PubChem CID 104978422) has the molecular formula C4H12N4O3S and a molecular weight of 196.23 g/mol. Its IUPAC name is N'-hydroxy-3-(methylsulfamoylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(methylsulfamoylamino)propanimidamide
PubChem CID104978422
Molecular FormulaC4H12N4O3S
Molecular Weight196.23 g/mol
Exact Mass196.06
IUPAC NameN'-hydroxy-3-(methylsulfamoylamino)propanimidamide
SMILESCNS(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C4H12N4O3S/c1-6-12(10,11)7-3-2-4(5)8-9/h6-7,9H,2-3H2,1H3,(H2,5,8)
InChIKeyFWEFIDPBIRVJOX-UHFFFAOYSA-N
XLogP-1.82
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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-(methylsulfonylmethylsulfonylamino)propanimidamide
CID 82842688
3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide
CID 77045072
3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 55102000
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 77021142
N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide
CID 104978766
N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide
CID 82842584
propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate
CID 104929393
N'-hydroxy-3-(propylsulfamoylamino)butanimidamide
CID 104978411
2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978310
N'-(methylsulfamoyl)pentane-1,5-diamine
CID 114804066
4-ethylsulfonyl-N'-hydroxybutanimidamide
CID 77055434
N'-hydroxy-2-(methylsulfamoylamino)propanimidamide
CID 104978263

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(methylsulfamoylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(methylsulfamoylamino)propanimidamide (CID 104978422) is N'-hydroxy-3-(methylsulfamoylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(methylsulfamoylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(methylsulfamoylamino)propanimidamide is CNS(=O)(=O)NCCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(methylsulfamoylamino)propanimidamide?
The InChIKey is FWEFIDPBIRVJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4O3S/c1-6-12(10,11)7-3-2-4(5)8-9/h6-7,9H,2-3H2,1H3,(H2,5,8).
What are the key properties of N'-hydroxy-3-(methylsulfamoylamino)propanimidamide?
N'-hydroxy-3-(methylsulfamoylamino)propanimidamide has a molecular weight of 196.23 g/mol, XLogP of -1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(methylsulfamoylamino)propanimidamide is sourced from PubChem (CID 104978422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).