5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine

C11H18N2O3S2 — CID 61298838

IUPAC5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine
SMILESCCOC1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C11H18N2O3S2/c1-2-16-10-3-5-13(6-4-10)18(14,15)11-7-9(12)8-17-11/h7-8,10H,2-6,12H2,1H3
InChIKeyABZUYJCBTPDNOY-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.52
Rot. Bonds4

About 5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine

5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine (PubChem CID 61298838) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine.

Molecular Properties

Compound Name5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine
PubChem CID61298838
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine
SMILESCCOC1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C11H18N2O3S2/c1-2-16-10-3-5-13(6-4-10)18(14,15)11-7-9(12)8-17-11/h7-8,10H,2-6,12H2,1H3
InChIKeyABZUYJCBTPDNOY-UHFFFAOYSA-N
XLogP1.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine?
The IUPAC name of 5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine (CID 61298838) is 5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine.
What is the SMILES notation for 5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine?
The canonical SMILES for 5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine is CCOC1CCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine?
The InChIKey is ABZUYJCBTPDNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-2-16-10-3-5-13(6-4-10)18(14,15)11-7-9(12)8-17-11/h7-8,10H,2-6,12H2,1H3.
What are the key properties of 5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine?
5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine has a molecular weight of 290.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxypiperidin-1-yl)sulfonylthiophen-3-amine is sourced from PubChem (CID 61298838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).