N-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide

C10H18N6O2S — CID 166835314

IUPACN-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide
SMILESC/N=C(\NO)c1nonc1NC1CCN(SC)CC1
InChIInChI=1S/C10H18N6O2S/c1-11-9(13-17)8-10(15-18-14-8)12-7-3-5-16(19-2)6-4-7/h7,17H,3-6H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyGIHSASCNFFZBGV-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.58
Rot. Bonds4

About N-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide

N-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 166835314) has the molecular formula C10H18N6O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID166835314
Molecular FormulaC10H18N6O2S
Molecular Weight286.36 g/mol
Exact Mass286.12
IUPAC NameN-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide
SMILESC/N=C(\NO)c1nonc1NC1CCN(SC)CC1
InChIInChI=1S/C10H18N6O2S/c1-11-9(13-17)8-10(15-18-14-8)12-7-3-5-16(19-2)6-4-7/h7,17H,3-6H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyGIHSASCNFFZBGV-UHFFFAOYSA-N
XLogP0.58
TPSA98.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of N-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide (CID 166835314) is N-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for N-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide is C/N=C(\NO)c1nonc1NC1CCN(SC)CC1.
What is the InChIKey of N-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is GIHSASCNFFZBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2S/c1-11-9(13-17)8-10(15-18-14-8)12-7-3-5-16(19-2)6-4-7/h7,17H,3-6H2,1-2H3,(H,11,13)(H,12,15).
What are the key properties of N-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide?
N-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 286.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-methyl-4-[(1-methylsulfanylpiperidin-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 166835314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).