3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide

C7H16N4O3S — CID 104978248

IUPAC3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCN(CCC(N)=NO)S(=O)(=O)NC1CC1
InChIInChI=1S/C7H16N4O3S/c1-11(5-4-7(8)9-12)15(13,14)10-6-2-3-6/h6,10,12H,2-5H2,1H3,(H2,8,9)
InChIKeyOKYSJDUBVLTDGD-UHFFFAOYSA-N
MW236.30 g/mol
LogP-0.95
Rot. Bonds6

About 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 104978248) has the molecular formula C7H16N4O3S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID104978248
Molecular FormulaC7H16N4O3S
Molecular Weight236.30 g/mol
Exact Mass236.09
IUPAC Name3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCN(CCC(N)=NO)S(=O)(=O)NC1CC1
InChIInChI=1S/C7H16N4O3S/c1-11(5-4-7(8)9-12)15(13,14)10-6-2-3-6/h6,10,12H,2-5H2,1H3,(H2,8,9)
InChIKeyOKYSJDUBVLTDGD-UHFFFAOYSA-N
XLogP-0.95
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 5-0.95
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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Related Compounds

3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988818
N'-hydroxy-2-methyl-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 54991892
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54992758
3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 54993144
3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54996531
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide
CID 54996963
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208
3-[cyclopropyl(diethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 54997598
N'-hydroxy-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453563
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 61453640
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 61453718

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide (CID 104978248) is 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide is CN(CCC(N)=NO)S(=O)(=O)NC1CC1.
What is the InChIKey of 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is OKYSJDUBVLTDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O3S/c1-11(5-4-7(8)9-12)15(13,14)10-6-2-3-6/h6,10,12H,2-5H2,1H3,(H2,8,9).
What are the key properties of 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 236.30 g/mol, XLogP of -0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104978248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).