N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine

C14H28N2O2S — CID 65045146

IUPACN-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine
SMILESCNCCC1CCN(C2CCCC2S(C)(=O)=O)CC1
InChIInChI=1S/C14H28N2O2S/c1-15-9-6-12-7-10-16(11-8-12)13-4-3-5-14(13)19(2,17)18/h12-15H,3-11H2,1-2H3
InChIKeyNXSNYSMQFKJTRJ-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.27
Rot. Bonds5

About N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine

N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine (PubChem CID 65045146) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine
PubChem CID65045146
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine
SMILESCNCCC1CCN(C2CCCC2S(C)(=O)=O)CC1
InChIInChI=1S/C14H28N2O2S/c1-15-9-6-12-7-10-16(11-8-12)13-4-3-5-14(13)19(2,17)18/h12-15H,3-11H2,1-2H3
InChIKeyNXSNYSMQFKJTRJ-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine 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-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine (CID 65045146) is N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine is CNCCC1CCN(C2CCCC2S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine?
The InChIKey is NXSNYSMQFKJTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-15-9-6-12-7-10-16(11-8-12)13-4-3-5-14(13)19(2,17)18/h12-15H,3-11H2,1-2H3.
What are the key properties of N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine?
N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 65045146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).