N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine

C13H28N2O2S — CID 79407263

IUPACN-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine
SMILESCCNC1CCN(CCCS(C)(=O)=O)C(C)C1C
InChIInChI=1S/C13H28N2O2S/c1-5-14-13-7-9-15(12(3)11(13)2)8-6-10-18(4,16)17/h11-14H,5-10H2,1-4H3
InChIKeyXQAGUOLMGMMXFM-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.13
Rot. Bonds6

About N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine

N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine (PubChem CID 79407263) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine
PubChem CID79407263
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine
SMILESCCNC1CCN(CCCS(C)(=O)=O)C(C)C1C
InChIInChI=1S/C13H28N2O2S/c1-5-14-13-7-9-15(12(3)11(13)2)8-6-10-18(4,16)17/h11-14H,5-10H2,1-4H3
InChIKeyXQAGUOLMGMMXFM-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine 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-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine (CID 79407263) is N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine is CCNC1CCN(CCCS(C)(=O)=O)C(C)C1C.
What is the InChIKey of N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine?
The InChIKey is XQAGUOLMGMMXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-14-13-7-9-15(12(3)11(13)2)8-6-10-18(4,16)17/h11-14H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine?
N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine is sourced from PubChem (CID 79407263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).