N-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride

C7H17ClN2O2S — CID 71756038

IUPACN-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-8-7-3-5-9(6-4-7)12(2,10)11;/h7-8H,3-6H2,1-2H3;1H
InChIKeyWDSPHTWJGGSISZ-UHFFFAOYSA-N
MW228.74 g/mol
LogP0.05
Rot. Bonds2

About N-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride

N-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride (PubChem CID 71756038) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is N-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride
PubChem CID71756038
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC NameN-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-8-7-3-5-9(6-4-7)12(2,10)11;/h7-8H,3-6H2,1-2H3;1H
InChIKeyWDSPHTWJGGSISZ-UHFFFAOYSA-N
XLogP0.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride (CID 71756038) is N-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride is CNC1CCN(S(C)(=O)=O)CC1.Cl.
What is the InChIKey of N-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is WDSPHTWJGGSISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.ClH/c1-8-7-3-5-9(6-4-7)12(2,10)11;/h7-8H,3-6H2,1-2H3;1H.
What are the key properties of N-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride?
N-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 228.74 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 71756038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).