(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine

C15H24N2O4S2 — CID 124684747

IUPAC(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)cc1
InChIInChI=1S/C15H24N2O4S2/c1-3-22(18,19)14-6-8-15(9-7-14)23(20,21)17-10-4-5-13(11-17)12(2)16/h6-9,12-13H,3-5,10-11,16H2,1-2H3/t12-,13-/m1/s1
InChIKeyIEAWSFOKBZPCCN-CHWSQXEVSA-N
MW360.50 g/mol
LogP1.23
Rot. Bonds5

About (1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine

(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine (PubChem CID 124684747) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is (1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
PubChem CID124684747
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC Name(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)cc1
InChIInChI=1S/C15H24N2O4S2/c1-3-22(18,19)14-6-8-15(9-7-14)23(20,21)17-10-4-5-13(11-17)12(2)16/h6-9,12-13H,3-5,10-11,16H2,1-2H3/t12-,13-/m1/s1
InChIKeyIEAWSFOKBZPCCN-CHWSQXEVSA-N
XLogP1.23
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984263
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
1-[1-[4-(methylsulfonylmethyl)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984637
2-[4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetonitrile
CID 79203418
ethyl 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119984527
1-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 86813045
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119984385
1-[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583154
1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984624
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119984380
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine?
The IUPAC name of (1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine (CID 124684747) is (1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine.
What is the SMILES notation for (1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine?
The canonical SMILES for (1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine is CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)cc1.
What is the InChIKey of (1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine?
The InChIKey is IEAWSFOKBZPCCN-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-3-22(18,19)14-6-8-15(9-7-14)23(20,21)17-10-4-5-13(11-17)12(2)16/h6-9,12-13H,3-5,10-11,16H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine?
(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine has a molecular weight of 360.50 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine is sourced from PubChem (CID 124684747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).