(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine

C13H20N2O2S — CID 102986553

IUPAC(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine
SMILESCCS(=O)(=O)c1ccc(N2CCC[C@@H](N)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-2-18(16,17)13-7-5-12(6-8-13)15-9-3-4-11(14)10-15/h5-8,11H,2-4,9-10,14H2,1H3/t11-/m1/s1
InChIKeyATNAMVGWMLHGGS-LLVKDONJSA-N
MW268.38 g/mol
LogP1.41
Rot. Bonds3

About (3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine

(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine (PubChem CID 102986553) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine
PubChem CID102986553
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine
SMILESCCS(=O)(=O)c1ccc(N2CCC[C@@H](N)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-2-18(16,17)13-7-5-12(6-8-13)15-9-3-4-11(14)10-15/h5-8,11H,2-4,9-10,14H2,1H3/t11-/m1/s1
InChIKeyATNAMVGWMLHGGS-LLVKDONJSA-N
XLogP1.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine 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

[1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol
CID 61147641
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690
(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
CID 99790197
1-(4-propylsulfonylphenyl)azetidin-3-amine
CID 63759620
4-(3-aminopiperidin-1-yl)benzoic acid
CID 62232198
1-[4-(methylamino)phenyl]piperidin-3-amine
CID 171622540
4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 62067887
1-(4-methylphenyl)azepan-3-amine
CID 84672656
1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine
CID 62591940
(4aR,8aS)-6-(4-ethylsulfonylphenyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 99858151
bis[1-(4-ethylsulfonylphenyl)piperidin-4-yl]methanone
CID 174945351
1-(3-ethoxy-4-nitrophenyl)piperidin-3-amine
CID 63671363

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine (CID 102986553) is (3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine is CCS(=O)(=O)c1ccc(N2CCC[C@@H](N)C2)cc1.
What is the InChIKey of (3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine?
The InChIKey is ATNAMVGWMLHGGS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-18(16,17)13-7-5-12(6-8-13)15-9-3-4-11(14)10-15/h5-8,11H,2-4,9-10,14H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine?
(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine has a molecular weight of 268.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine is sourced from PubChem (CID 102986553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).