2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide

C7H16N4O3S — CID 104978287

IUPAC2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(NS(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C7H16N4O3S/c1-7(2,6(8)9-12)11-15(13,14)10-5-3-4-5/h5,10-12H,3-4H2,1-2H3,(H2,8,9)
InChIKeyDQDXWGSKNDYKDZ-UHFFFAOYSA-N
MW236.30 g/mol
LogP-0.90
Rot. Bonds5

About 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide

2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 104978287) has the molecular formula C7H16N4O3S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID104978287
Molecular FormulaC7H16N4O3S
Molecular Weight236.30 g/mol
Exact Mass236.09
IUPAC Name2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(NS(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C7H16N4O3S/c1-7(2,6(8)9-12)11-15(13,14)10-5-3-4-5/h5,10-12H,3-4H2,1-2H3,(H2,8,9)
InChIKeyDQDXWGSKNDYKDZ-UHFFFAOYSA-N
XLogP-0.90
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453675
2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978262
N'-hydroxy-2-(methylsulfamoylamino)propanimidamide
CID 104978263
2-(tert-butylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978264
N'-hydroxy-2-(propylsulfamoylamino)propanimidamide
CID 104978265
2-(ethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978267
N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide
CID 104978268
2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978269
2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978271
N'-hydroxy-2-(propylsulfamoylamino)butanimidamide
CID 104978272
2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978273
N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978274

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide (CID 104978287) is 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide is CC(C)(NS(=O)(=O)NC1CC1)C(N)=NO.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is DQDXWGSKNDYKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O3S/c1-7(2,6(8)9-12)11-15(13,14)10-5-3-4-5/h5,10-12H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 236.30 g/mol, XLogP of -0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 104978287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).