N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide

C15H30N2O3S — CID 71969883

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide
SMILESCC1CC(C)CN(CCNS(=O)(=O)CCC2CCCO2)C1
InChIInChI=1S/C15H30N2O3S/c1-13-10-14(2)12-17(11-13)7-6-16-21(18,19)9-5-15-4-3-8-20-15/h13-16H,3-12H2,1-2H3
InChIKeyVMCMEQGYJKOSQY-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.45
Rot. Bonds7

About N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide (PubChem CID 71969883) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide
PubChem CID71969883
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide
SMILESCC1CC(C)CN(CCNS(=O)(=O)CCC2CCCO2)C1
InChIInChI=1S/C15H30N2O3S/c1-13-10-14(2)12-17(11-13)7-6-16-21(18,19)9-5-15-4-3-8-20-15/h13-16H,3-12H2,1-2H3
InChIKeyVMCMEQGYJKOSQY-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide (CID 71969883) is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide is CC1CC(C)CN(CCNS(=O)(=O)CCC2CCCO2)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide?
The InChIKey is VMCMEQGYJKOSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-13-10-14(2)12-17(11-13)7-6-16-21(18,19)9-5-15-4-3-8-20-15/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide?
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide is sourced from PubChem (CID 71969883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).