4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

C11H16N2O3S2 — CID 6486029

IUPAC4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1
InChIInChI=1S/C11H16N2O3S2/c1-8-2-4-13(5-3-8)18(15,16)9-6-10(11(12)14)17-7-9/h6-8H,2-5H2,1H3,(H2,12,14)
InChIKeyGUHPTOKXULIIFG-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.27
Rot. Bonds3

About 4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (PubChem CID 6486029) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
PubChem CID6486029
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1
InChIInChI=1S/C11H16N2O3S2/c1-8-2-4-13(5-3-8)18(15,16)9-6-10(11(12)14)17-7-9/h6-8H,2-5H2,1H3,(H2,12,14)
InChIKeyGUHPTOKXULIIFG-UHFFFAOYSA-N
XLogP1.27
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (CID 6486029) is 4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is CC1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The InChIKey is GUHPTOKXULIIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-8-2-4-13(5-3-8)18(15,16)9-6-10(11(12)14)17-7-9/h6-8H,2-5H2,1H3,(H2,12,14).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6486029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).