1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine

C17H28N2O4S — CID 119965482

IUPAC1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine
SMILESCCOCCOc1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1
InChIInChI=1S/C17H28N2O4S/c1-3-22-12-13-23-15-7-9-16(10-8-15)24(20,21)19-11-5-4-6-17(19)14(2)18/h7-10,14,17H,3-6,11-13,18H2,1-2H3
InChIKeyUMSCYXJEAYXZPB-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.99
Rot. Bonds8

About 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine

1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine (PubChem CID 119965482) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine
PubChem CID119965482
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine
SMILESCCOCCOc1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1
InChIInChI=1S/C17H28N2O4S/c1-3-22-12-13-23-15-7-9-16(10-8-15)24(20,21)19-11-5-4-6-17(19)14(2)18/h7-10,14,17H,3-6,11-13,18H2,1-2H3
InChIKeyUMSCYXJEAYXZPB-UHFFFAOYSA-N
XLogP1.99
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine (CID 119965482) is 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine is CCOCCOc1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1.
What is the InChIKey of 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is UMSCYXJEAYXZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-3-22-12-13-23-15-7-9-16(10-8-15)24(20,21)19-11-5-4-6-17(19)14(2)18/h7-10,14,17H,3-6,11-13,18H2,1-2H3.
What are the key properties of 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine?
1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 356.49 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 119965482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).