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

C13H19BrN2O2S2 — CID 79989370

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CC3CCC(C2)N3)sc1Br
InChIInChI=1S/C13H19BrN2O2S2/c1-8-5-12(19-13(8)14)20(17,18)16(2)11-6-9-3-4-10(7-11)15-9/h5,9-11,15H,3-4,6-7H2,1-2H3
InChIKeyNDIKACAZLRJLAA-UHFFFAOYSA-N
MW379.35 g/mol
LogP2.72
Rot. Bonds3

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide (PubChem CID 79989370) has the molecular formula C13H19BrN2O2S2 and a molecular weight of 379.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide
PubChem CID79989370
Molecular FormulaC13H19BrN2O2S2
Molecular Weight379.35 g/mol
Exact Mass378.01
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CC3CCC(C2)N3)sc1Br
InChIInChI=1S/C13H19BrN2O2S2/c1-8-5-12(19-13(8)14)20(17,18)16(2)11-6-9-3-4-10(7-11)15-9/h5,9-11,15H,3-4,6-7H2,1-2H3
InChIKeyNDIKACAZLRJLAA-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide
CID 61231449
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80577585
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide
CID 106272763
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
5-bromo-4-methylthiophene-2-sulfonyl bromide
CID 130493587
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 120894149
5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79994736
5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 79931524
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 61231261
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
CID 120712698
ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate
CID 79930307

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide (CID 79989370) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)C2CC3CCC(C2)N3)sc1Br.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide?
The InChIKey is NDIKACAZLRJLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S2/c1-8-5-12(19-13(8)14)20(17,18)16(2)11-6-9-3-4-10(7-11)15-9/h5,9-11,15H,3-4,6-7H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide has a molecular weight of 379.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 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)-5-bromo-N,4-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 79989370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).