4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide

C16H26N4O2S — CID 45272864

IUPAC4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide
SMILESCc1cccc(S(=O)(=O)NCC/N=C(\N)N2CCC(C)CC2)c1
InChIInChI=1S/C16H26N4O2S/c1-13-6-10-20(11-7-13)16(17)18-8-9-19-23(21,22)15-5-3-4-14(2)12-15/h3-5,12-13,19H,6-11H2,1-2H3,(H2,17,18)
InChIKeyFVIXHGNADRAUSN-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.32
Rot. Bonds5

About 4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide

4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide (PubChem CID 45272864) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide
PubChem CID45272864
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide
SMILESCc1cccc(S(=O)(=O)NCC/N=C(\N)N2CCC(C)CC2)c1
InChIInChI=1S/C16H26N4O2S/c1-13-6-10-20(11-7-13)16(17)18-8-9-19-23(21,22)15-5-3-4-14(2)12-15/h3-5,12-13,19H,6-11H2,1-2H3,(H2,17,18)
InChIKeyFVIXHGNADRAUSN-UHFFFAOYSA-N
XLogP1.32
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide (CID 45272864) is 4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide is Cc1cccc(S(=O)(=O)NCC/N=C(\N)N2CCC(C)CC2)c1.
What is the InChIKey of 4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide?
The InChIKey is FVIXHGNADRAUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13-6-10-20(11-7-13)16(17)18-8-9-19-23(21,22)15-5-3-4-14(2)12-15/h3-5,12-13,19H,6-11H2,1-2H3,(H2,17,18).
What are the key properties of 4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide?
4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide has a molecular weight of 338.48 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 45272864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).