N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide

C15H23N3O2S — CID 102958261

IUPACN'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
SMILESCOC1CN(c2cccc(SC)c2/C(N)=N/O)CCC1C
InChIInChI=1S/C15H23N3O2S/c1-10-7-8-18(9-12(10)20-2)11-5-4-6-13(21-3)14(11)15(16)17-19/h4-6,10,12,19H,7-9H2,1-3H3,(H2,16,17)
InChIKeyHWCZQXLUKAUDMC-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.36
Rot. Bonds4

About N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide

N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide (PubChem CID 102958261) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
PubChem CID102958261
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
SMILESCOC1CN(c2cccc(SC)c2/C(N)=N/O)CCC1C
InChIInChI=1S/C15H23N3O2S/c1-10-7-8-18(9-12(10)20-2)11-5-4-6-13(21-3)14(11)15(16)17-19/h4-6,10,12,19H,7-9H2,1-3H3,(H2,16,17)
InChIKeyHWCZQXLUKAUDMC-UHFFFAOYSA-N
XLogP2.36
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 114538150
2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzonitrile
CID 102957735
2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
CID 114678809
2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
CID 114065164
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 102959935
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014
3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958427
N'-hydroxy-3-(3-methoxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 102963396
N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 102958200
4-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)benzenecarbothioamide
CID 102957989
5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590
2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline
CID 102955625

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide (CID 102958261) is N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide is COC1CN(c2cccc(SC)c2/C(N)=N/O)CCC1C.
What is the InChIKey of N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide?
The InChIKey is HWCZQXLUKAUDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-7-8-18(9-12(10)20-2)11-5-4-6-13(21-3)14(11)15(16)17-19/h4-6,10,12,19H,7-9H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide?
N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide has a molecular weight of 309.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 102958261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).