N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide

C16H25N3O3S — CID 10958727

IUPACN'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide
SMILESCOc1cc(C)c(S(=O)(=O)/N=C(\N)N2CCCCC2)c(C)c1C
InChIInChI=1S/C16H25N3O3S/c1-11-10-14(22-4)12(2)13(3)15(11)23(20,21)18-16(17)19-8-6-5-7-9-19/h10H,5-9H2,1-4H3,(H2,17,18)
InChIKeyLSDZBZXVSSKKIJ-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.11
Rot. Bonds3

About N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide

N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide (PubChem CID 10958727) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide
PubChem CID10958727
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide
SMILESCOc1cc(C)c(S(=O)(=O)/N=C(\N)N2CCCCC2)c(C)c1C
InChIInChI=1S/C16H25N3O3S/c1-11-10-14(22-4)12(2)13(3)15(11)23(20,21)18-16(17)19-8-6-5-7-9-19/h10H,5-9H2,1-4H3,(H2,17,18)
InChIKeyLSDZBZXVSSKKIJ-UHFFFAOYSA-N
XLogP2.11
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide?
The IUPAC name of N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide (CID 10958727) is N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide is COc1cc(C)c(S(=O)(=O)/N=C(\N)N2CCCCC2)c(C)c1C.
What is the InChIKey of N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide?
The InChIKey is LSDZBZXVSSKKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11-10-14(22-4)12(2)13(3)15(11)23(20,21)18-16(17)19-8-6-5-7-9-19/h10H,5-9H2,1-4H3,(H2,17,18).
What are the key properties of N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide?
N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide has a molecular weight of 339.46 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide is sourced from PubChem (CID 10958727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).