2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide

C5H12N4O3S — CID 104985790

IUPAC2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide
SMILESNC(=NO)C(NS(N)(=O)=O)C1CC1
InChIInChI=1S/C5H12N4O3S/c6-5(8-10)4(3-1-2-3)9-13(7,11)12/h3-4,9-10H,1-2H2,(H2,6,8)(H2,7,11,12)
InChIKeyKNDRLLPMJMDWET-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.70
Rot. Bonds4

About 2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide

2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide (PubChem CID 104985790) has the molecular formula C5H12N4O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide
PubChem CID104985790
Molecular FormulaC5H12N4O3S
Molecular Weight208.24 g/mol
Exact Mass208.06
IUPAC Name2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide
SMILESNC(=NO)C(NS(N)(=O)=O)C1CC1
InChIInChI=1S/C5H12N4O3S/c6-5(8-10)4(3-1-2-3)9-13(7,11)12/h3-4,9-10H,1-2H2,(H2,6,8)(H2,7,11,12)
InChIKeyKNDRLLPMJMDWET-UHFFFAOYSA-N
XLogP-1.70
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.70
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

2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 104978525
2-amino-2-cyclopropyl-N-hydroxyethanimidamide
CID 64981101
2-cyclopropyl-2-(diethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 77038893
2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 77038973
2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 77038979
2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide
CID 77039127
CID 77052245
CID 77052245
2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978262
2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978269
2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide
CID 104978275
N'-hydroxy-2-(methylsulfamoylamino)pentanimidamide
CID 104978276
2-(ethylsulfamoylamino)-N'-hydroxypentanimidamide
CID 104978280

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide (CID 104985790) is 2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide is NC(=NO)C(NS(N)(=O)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide?
The InChIKey is KNDRLLPMJMDWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O3S/c6-5(8-10)4(3-1-2-3)9-13(7,11)12/h3-4,9-10H,1-2H2,(H2,6,8)(H2,7,11,12).
What are the key properties of 2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide?
2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide has a molecular weight of 208.24 g/mol, XLogP of -1.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide is sourced from PubChem (CID 104985790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).