N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide

C13H20N2O2S2 — CID 91647294

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC3CCC(C2)N3)sc1C
InChIInChI=1S/C13H20N2O2S2/c1-8-5-13(18-9(8)2)19(16,17)15-12-6-10-3-4-11(7-12)14-10/h5,10-12,14-15H,3-4,6-7H2,1-2H3
InChIKeyGAGQMXOKIZBJSZ-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.93
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide (PubChem CID 91647294) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide
PubChem CID91647294
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC3CCC(C2)N3)sc1C
InChIInChI=1S/C13H20N2O2S2/c1-8-5-13(18-9(8)2)19(16,17)15-12-6-10-3-4-11(7-12)14-10/h5,10-12,14-15H,3-4,6-7H2,1-2H3
InChIKeyGAGQMXOKIZBJSZ-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide (CID 91647294) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CC3CCC(C2)N3)sc1C.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide?
The InChIKey is GAGQMXOKIZBJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-8-5-13(18-9(8)2)19(16,17)15-12-6-10-3-4-11(7-12)14-10/h5,10-12,14-15H,3-4,6-7H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide has a molecular weight of 300.45 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 91647294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).