1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride

C6H13ClN2O2S — CID 172898076

IUPAC1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride
SMILESCl.[H]N=S(C)(=O)N1CCC(=O)CC1
InChIInChI=1S/C6H12N2O2S.ClH/c1-11(7,10)8-4-2-6(9)3-5-8;/h7H,2-5H2,1H3;1H
InChIKeyRHYANWIJNSLZOR-UHFFFAOYSA-N
MW212.70 g/mol
LogP0.66
Rot. Bonds1

About 1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride

1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride (PubChem CID 172898076) has the molecular formula C6H13ClN2O2S and a molecular weight of 212.70 g/mol. Its IUPAC name is 1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride.

Molecular Properties

Compound Name1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride
PubChem CID172898076
Molecular FormulaC6H13ClN2O2S
Molecular Weight212.70 g/mol
Exact Mass212.04
IUPAC Name1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride
SMILESCl.[H]N=S(C)(=O)N1CCC(=O)CC1
InChIInChI=1S/C6H12N2O2S.ClH/c1-11(7,10)8-4-2-6(9)3-5-8;/h7H,2-5H2,1H3;1H
InChIKeyRHYANWIJNSLZOR-UHFFFAOYSA-N
XLogP0.66
TPSA61.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride?
The IUPAC name of 1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride (CID 172898076) is 1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride.
What is the SMILES notation for 1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride?
The canonical SMILES for 1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride is Cl.[H]N=S(C)(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride?
The InChIKey is RHYANWIJNSLZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S.ClH/c1-11(7,10)8-4-2-6(9)3-5-8;/h7H,2-5H2,1H3;1H.
What are the key properties of 1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride?
1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride has a molecular weight of 212.70 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride is sourced from PubChem (CID 172898076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).