N'-hydroxy-1,4-oxathiane-2-carboximidamide

C5H10N2O2S — CID 126972602

IUPACN'-hydroxy-1,4-oxathiane-2-carboximidamide
SMILESN/C(=N\O)C1CSCCO1
InChIInChI=1S/C5H10N2O2S/c6-5(7-8)4-3-10-2-1-9-4/h4,8H,1-3H2,(H2,6,7)
InChIKeyYSVCDTICRXLOCT-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.14
Rot. Bonds1

About N'-hydroxy-1,4-oxathiane-2-carboximidamide

N'-hydroxy-1,4-oxathiane-2-carboximidamide (PubChem CID 126972602) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is N'-hydroxy-1,4-oxathiane-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,4-oxathiane-2-carboximidamide
PubChem CID126972602
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC NameN'-hydroxy-1,4-oxathiane-2-carboximidamide
SMILESN/C(=N\O)C1CSCCO1
InChIInChI=1S/C5H10N2O2S/c6-5(7-8)4-3-10-2-1-9-4/h4,8H,1-3H2,(H2,6,7)
InChIKeyYSVCDTICRXLOCT-UHFFFAOYSA-N
XLogP-0.14
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
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-1,4-oxathiane-2-carboximidamide?
The IUPAC name of N'-hydroxy-1,4-oxathiane-2-carboximidamide (CID 126972602) is N'-hydroxy-1,4-oxathiane-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,4-oxathiane-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1,4-oxathiane-2-carboximidamide is N/C(=N\O)C1CSCCO1.
What is the InChIKey of N'-hydroxy-1,4-oxathiane-2-carboximidamide?
The InChIKey is YSVCDTICRXLOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c6-5(7-8)4-3-10-2-1-9-4/h4,8H,1-3H2,(H2,6,7).
What are the key properties of N'-hydroxy-1,4-oxathiane-2-carboximidamide?
N'-hydroxy-1,4-oxathiane-2-carboximidamide has a molecular weight of 162.21 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,4-oxathiane-2-carboximidamide is sourced from PubChem (CID 126972602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).