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

C11H16N2O3S2 — CID 20900814

IUPAC4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCC1CCCCN1S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C11H16N2O3S2/c1-8-4-2-3-5-13(8)18(15,16)9-6-10(11(12)14)17-7-9/h6-8H,2-5H2,1H3,(H2,12,14)
InChIKeyBMOZQAREXCSWQA-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.41
Rot. Bonds3

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

4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (PubChem CID 20900814) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
PubChem CID20900814
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCC1CCCCN1S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C11H16N2O3S2/c1-8-4-2-3-5-13(8)18(15,16)9-6-10(11(12)14)17-7-9/h6-8H,2-5H2,1H3,(H2,12,14)
InChIKeyBMOZQAREXCSWQA-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (CID 20900814) is 4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is CC1CCCCN1S(=O)(=O)c1csc(C(N)=O)c1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The InChIKey is BMOZQAREXCSWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-8-4-2-3-5-13(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-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 20900814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).