4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide

C11H14N2O3S2 — CID 62223272

IUPAC4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CC3CCC2C3)cs1
InChIInChI=1S/C11H14N2O3S2/c12-18(15,16)10-4-8(6-17-10)11(14)13-5-7-1-2-9(13)3-7/h4,6-7,9H,1-3,5H2,(H2,12,15,16)
InChIKeyNICBIRVEHZGWRC-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.02
Rot. Bonds2

About 4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide

4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide (PubChem CID 62223272) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide
PubChem CID62223272
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Name4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CC3CCC2C3)cs1
InChIInChI=1S/C11H14N2O3S2/c12-18(15,16)10-4-8(6-17-10)11(14)13-5-7-1-2-9(13)3-7/h4,6-7,9H,1-3,5H2,(H2,12,15,16)
InChIKeyNICBIRVEHZGWRC-UHFFFAOYSA-N
XLogP1.02
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide (CID 62223272) is 4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide is NS(=O)(=O)c1cc(C(=O)N2CC3CCC2C3)cs1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide?
The InChIKey is NICBIRVEHZGWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c12-18(15,16)10-4-8(6-17-10)11(14)13-5-7-1-2-9(13)3-7/h4,6-7,9H,1-3,5H2,(H2,12,15,16).
What are the key properties of 4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide?
4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 62223272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).