1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine

C11H24N2O2S — CID 63597306

IUPAC1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine
SMILESCCS(=O)(=O)CCN1CCC(C(C)N)CC1
InChIInChI=1S/C11H24N2O2S/c1-3-16(14,15)9-8-13-6-4-11(5-7-13)10(2)12/h10-11H,3-9,12H2,1-2H3
InChIKeyMVLZLBKIAKRACE-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.48
Rot. Bonds5

About 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine

1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine (PubChem CID 63597306) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine
PubChem CID63597306
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine
SMILESCCS(=O)(=O)CCN1CCC(C(C)N)CC1
InChIInChI=1S/C11H24N2O2S/c1-3-16(14,15)9-8-13-6-4-11(5-7-13)10(2)12/h10-11H,3-9,12H2,1-2H3
InChIKeyMVLZLBKIAKRACE-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-ethylsulfonylethyl)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

Related Compounds

3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide
CID 63596397
1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920924
4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
CID 106838183
1-(1-hexylpiperidin-4-yl)ethanamine
CID 63595820
2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride
CID 138659398
1-(2-ethylsulfonylethyl)piperidine-4-carboxylic acid
CID 43808024
3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile
CID 63597136
N-ethyl-1-(2-ethylsulfonylethyl)piperidin-4-amine
CID 60820479
1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine
CID 63597070
2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol
CID 59216610
1-(2-ethylsulfonylethyl)azocane
CID 167779827
1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine (CID 63597306) is 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine is CCS(=O)(=O)CCN1CCC(C(C)N)CC1.
What is the InChIKey of 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine?
The InChIKey is MVLZLBKIAKRACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-16(14,15)9-8-13-6-4-11(5-7-13)10(2)12/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine?
1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine has a molecular weight of 248.39 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 63597306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).