5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide

C14H22N2O3S2 — CID 114597584

IUPAC5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCC1CC(C)C(C)N(C(=O)Cc2ccc(S(N)(=O)=O)s2)C1
InChIInChI=1S/C14H22N2O3S2/c1-9-6-10(2)11(3)16(8-9)13(17)7-12-4-5-14(20-12)21(15,18)19/h4-5,9-11H,6-8H2,1-3H3,(H2,15,18,19)
InChIKeyHULJHQQCRCBUGL-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.83
Rot. Bonds3

About 5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide

5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 114597584) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID114597584
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCC1CC(C)C(C)N(C(=O)Cc2ccc(S(N)(=O)=O)s2)C1
InChIInChI=1S/C14H22N2O3S2/c1-9-6-10(2)11(3)16(8-9)13(17)7-12-4-5-14(20-12)21(15,18)19/h4-5,9-11H,6-8H2,1-3H3,(H2,15,18,19)
InChIKeyHULJHQQCRCBUGL-UHFFFAOYSA-N
XLogP1.83
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide (CID 114597584) is 5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide is CC1CC(C)C(C)N(C(=O)Cc2ccc(S(N)(=O)=O)s2)C1.
What is the InChIKey of 5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is HULJHQQCRCBUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-9-6-10(2)11(3)16(8-9)13(17)7-12-4-5-14(20-12)21(15,18)19/h4-5,9-11H,6-8H2,1-3H3,(H2,15,18,19).
What are the key properties of 5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 330.48 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 114597584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).