4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide

C16H27N3O4S2 — CID 20937292

IUPAC4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCCOCCCN(C)C1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1
InChIInChI=1S/C16H27N3O4S2/c1-3-23-10-4-7-18(2)13-5-8-19(9-6-13)25(21,22)14-11-15(16(17)20)24-12-14/h11-13H,3-10H2,1-2H3,(H2,17,20)
InChIKeyGSMKCMGBJGWMEH-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.36
Rot. Bonds9

About 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide

4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide (PubChem CID 20937292) has the molecular formula C16H27N3O4S2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide
PubChem CID20937292
Molecular FormulaC16H27N3O4S2
Molecular Weight389.54 g/mol
Exact Mass389.14
IUPAC Name4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCCOCCCN(C)C1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1
InChIInChI=1S/C16H27N3O4S2/c1-3-23-10-4-7-18(2)13-5-8-19(9-6-13)25(21,22)14-11-15(16(17)20)24-12-14/h11-13H,3-10H2,1-2H3,(H2,17,20)
InChIKeyGSMKCMGBJGWMEH-UHFFFAOYSA-N
XLogP1.36
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide?
The IUPAC name of 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide (CID 20937292) is 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide is CCOCCCN(C)C1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1.
What is the InChIKey of 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide?
The InChIKey is GSMKCMGBJGWMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S2/c1-3-23-10-4-7-18(2)13-5-8-19(9-6-13)25(21,22)14-11-15(16(17)20)24-12-14/h11-13H,3-10H2,1-2H3,(H2,17,20).
What are the key properties of 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide?
4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 20937292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).