N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride

C8H17ClF2N2O2S — CID 91654571

IUPACN-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride
SMILESCS(=O)(=O)N1CCC(NCC(F)F)CC1.Cl
InChIInChI=1S/C8H16F2N2O2S.ClH/c1-15(13,14)12-4-2-7(3-5-12)11-6-8(9)10;/h7-8,11H,2-6H2,1H3;1H
InChIKeyVMWXZCZMPPSGGU-UHFFFAOYSA-N
MW278.75 g/mol
LogP0.69
Rot. Bonds4

About N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride

N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride (PubChem CID 91654571) has the molecular formula C8H17ClF2N2O2S and a molecular weight of 278.75 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride
PubChem CID91654571
Molecular FormulaC8H17ClF2N2O2S
Molecular Weight278.75 g/mol
Exact Mass278.07
IUPAC NameN-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride
SMILESCS(=O)(=O)N1CCC(NCC(F)F)CC1.Cl
InChIInChI=1S/C8H16F2N2O2S.ClH/c1-15(13,14)12-4-2-7(3-5-12)11-6-8(9)10;/h7-8,11H,2-6H2,1H3;1H
InChIKeyVMWXZCZMPPSGGU-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride (CID 91654571) is N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride is CS(=O)(=O)N1CCC(NCC(F)F)CC1.Cl.
What is the InChIKey of N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is VMWXZCZMPPSGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S.ClH/c1-15(13,14)12-4-2-7(3-5-12)11-6-8(9)10;/h7-8,11H,2-6H2,1H3;1H.
What are the key properties of N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride?
N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 278.75 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 91654571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).