3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide

C7H16N4O3S — CID 104978408

IUPAC3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)NC1CC1
InChIInChI=1S/C7H16N4O3S/c1-5(4-7(8)9-12)10-15(13,14)11-6-2-3-6/h5-6,10-12H,2-4H2,1H3,(H2,8,9)
InChIKeyRAFDQQGLJBBTAY-UHFFFAOYSA-N
MW236.30 g/mol
LogP-0.90
Rot. Bonds6

About 3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide

3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide (PubChem CID 104978408) has the molecular formula C7H16N4O3S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
PubChem CID104978408
Molecular FormulaC7H16N4O3S
Molecular Weight236.30 g/mol
Exact Mass236.09
IUPAC Name3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)NC1CC1
InChIInChI=1S/C7H16N4O3S/c1-5(4-7(8)9-12)10-15(13,14)11-6-2-3-6/h5-6,10-12H,2-4H2,1H3,(H2,8,9)
InChIKeyRAFDQQGLJBBTAY-UHFFFAOYSA-N
XLogP-0.90
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 5-0.90
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-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978412
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208
3-[cyclopropyl(diethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 54997598
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 61453640
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 76205538
3-[cyclopropyl(diethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 76205618
3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 76911666
3-(diethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 76934598
3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 76934632
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 76934729
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 76947716
3-(dimethylsulfamoylamino)-N'-hydroxypentanimidamide
CID 76947941

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide (CID 104978408) is 3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide is CC(CC(N)=NO)NS(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide?
The InChIKey is RAFDQQGLJBBTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O3S/c1-5(4-7(8)9-12)10-15(13,14)11-6-2-3-6/h5-6,10-12H,2-4H2,1H3,(H2,8,9).
What are the key properties of 3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide?
3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide has a molecular weight of 236.30 g/mol, XLogP of -0.90, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 104978408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).