2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide

C6H14N4O3S — CID 104978262

IUPAC2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide
SMILESCC(NS(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C6H14N4O3S/c1-4(6(7)8-11)9-14(12,13)10-5-2-3-5/h4-5,9-11H,2-3H2,1H3,(H2,7,8)
InChIKeyIQYDPNDANIQRKD-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.29
Rot. Bonds5

About 2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide

2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide (PubChem CID 104978262) has the molecular formula C6H14N4O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide
PubChem CID104978262
Molecular FormulaC6H14N4O3S
Molecular Weight222.27 g/mol
Exact Mass222.08
IUPAC Name2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide
SMILESCC(NS(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C6H14N4O3S/c1-4(6(7)8-11)9-14(12,13)10-5-2-3-5/h4-5,9-11H,2-3H2,1H3,(H2,7,8)
InChIKeyIQYDPNDANIQRKD-UHFFFAOYSA-N
XLogP-1.29
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.29
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-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978266
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 61453718
3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
CID 104978248
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
N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
CID 104978270
N'-hydroxy-2-(propylsulfamoylamino)butanimidamide
CID 104978272

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide (CID 104978262) is 2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide is CC(NS(=O)(=O)NC1CC1)C(N)=NO.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide?
The InChIKey is IQYDPNDANIQRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O3S/c1-4(6(7)8-11)9-14(12,13)10-5-2-3-5/h4-5,9-11H,2-3H2,1H3,(H2,7,8).
What are the key properties of 2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide?
2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide has a molecular weight of 222.27 g/mol, XLogP of -1.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 104978262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).