N'-methyl-4-methylsulfonylpiperidine-1-carboximidamide

C8H17N3O2S — CID 89374676

IUPACN'-methyl-4-methylsulfonylpiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C8H17N3O2S/c1-10-8(9)11-5-3-7(4-6-11)14(2,12)13/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyXFFVMLYIZJZGKB-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.56
Rot. Bonds1

About N'-methyl-4-methylsulfonylpiperidine-1-carboximidamide

N'-methyl-4-methylsulfonylpiperidine-1-carboximidamide (PubChem CID 89374676) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is N'-methyl-4-methylsulfonylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-methylsulfonylpiperidine-1-carboximidamide
PubChem CID89374676
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC NameN'-methyl-4-methylsulfonylpiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C8H17N3O2S/c1-10-8(9)11-5-3-7(4-6-11)14(2,12)13/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyXFFVMLYIZJZGKB-UHFFFAOYSA-N
XLogP-0.56
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.56
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'-methyl-4-methylsulfonylpiperidine-1-carboximidamide?
The IUPAC name of N'-methyl-4-methylsulfonylpiperidine-1-carboximidamide (CID 89374676) is N'-methyl-4-methylsulfonylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-methylsulfonylpiperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-methylsulfonylpiperidine-1-carboximidamide is C/N=C(\N)N1CCC(S(C)(=O)=O)CC1.
What is the InChIKey of N'-methyl-4-methylsulfonylpiperidine-1-carboximidamide?
The InChIKey is XFFVMLYIZJZGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-10-8(9)11-5-3-7(4-6-11)14(2,12)13/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-methyl-4-methylsulfonylpiperidine-1-carboximidamide?
N'-methyl-4-methylsulfonylpiperidine-1-carboximidamide has a molecular weight of 219.31 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-methylsulfonylpiperidine-1-carboximidamide is sourced from PubChem (CID 89374676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).