5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine

C14H23N3O3S — CID 62153528

IUPAC5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
SMILESCCNc1ccc(S(=O)(=O)N2CCCC(OCC)C2)cn1
InChIInChI=1S/C14H23N3O3S/c1-3-15-14-8-7-13(10-16-14)21(18,19)17-9-5-6-12(11-17)20-4-2/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,15,16)
InChIKeyHDBGAPVWZCSJHM-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.70
Rot. Bonds6

About 5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine

5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine (PubChem CID 62153528) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
PubChem CID62153528
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
SMILESCCNc1ccc(S(=O)(=O)N2CCCC(OCC)C2)cn1
InChIInChI=1S/C14H23N3O3S/c1-3-15-14-8-7-13(10-16-14)21(18,19)17-9-5-6-12(11-17)20-4-2/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,15,16)
InChIKeyHDBGAPVWZCSJHM-UHFFFAOYSA-N
XLogP1.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine?
The IUPAC name of 5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine (CID 62153528) is 5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine?
The canonical SMILES for 5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine is CCNc1ccc(S(=O)(=O)N2CCCC(OCC)C2)cn1.
What is the InChIKey of 5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine?
The InChIKey is HDBGAPVWZCSJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-15-14-8-7-13(10-16-14)21(18,19)17-9-5-6-12(11-17)20-4-2/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,15,16).
What are the key properties of 5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine?
5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine has a molecular weight of 313.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine is sourced from PubChem (CID 62153528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).