N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide

C5H14N4O3S — CID 104978311

IUPACN'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
SMILESCC(C)NS(=O)(=O)NCC(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-4(2)9-13(11,12)7-3-5(6)8-10/h4,7,9-10H,3H2,1-2H3,(H2,6,8)
InChIKeyOIJMSZPGHWXEQK-UHFFFAOYSA-N
MW210.26 g/mol
LogP-1.43
Rot. Bonds5

About N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide

N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide (PubChem CID 104978311) has the molecular formula C5H14N4O3S and a molecular weight of 210.26 g/mol. Its IUPAC name is N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
PubChem CID104978311
Molecular FormulaC5H14N4O3S
Molecular Weight210.26 g/mol
Exact Mass210.08
IUPAC NameN'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
SMILESCC(C)NS(=O)(=O)NCC(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-4(2)9-13(11,12)7-3-5(6)8-10/h4,7,9-10H,3H2,1-2H3,(H2,6,8)
InChIKeyOIJMSZPGHWXEQK-UHFFFAOYSA-N
XLogP-1.43
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-1.43
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide (CID 104978311) is N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide is CC(C)NS(=O)(=O)NCC(N)=NO.
What is the InChIKey of N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide?
The InChIKey is OIJMSZPGHWXEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O3S/c1-4(2)9-13(11,12)7-3-5(6)8-10/h4,7,9-10H,3H2,1-2H3,(H2,6,8).
What are the key properties of N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide?
N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide has a molecular weight of 210.26 g/mol, XLogP of -1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 104978311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).