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

C14H21BrN2O2S2 — CID 61230956

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide
SMILESCCCN(C1CC2CCC(C1)N2)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H21BrN2O2S2/c1-2-7-17(12-8-10-3-4-11(9-12)16-10)21(18,19)14-6-5-13(15)20-14/h5-6,10-12,16H,2-4,7-9H2,1H3
InChIKeyUYPLVHMXIHTSLT-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.19
Rot. Bonds5

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide (PubChem CID 61230956) has the molecular formula C14H21BrN2O2S2 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide
PubChem CID61230956
Molecular FormulaC14H21BrN2O2S2
Molecular Weight393.37 g/mol
Exact Mass392.02
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide
SMILESCCCN(C1CC2CCC(C1)N2)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H21BrN2O2S2/c1-2-7-17(12-8-10-3-4-11(9-12)16-10)21(18,19)14-6-5-13(15)20-14/h5-6,10-12,16H,2-4,7-9H2,1H3
InChIKeyUYPLVHMXIHTSLT-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-propylthiophene-2-sulfonamide
CID 61456072
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80577585
5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 61067742
5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907804
5-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 54923399
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide
CID 105361380
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 26531289
5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide
CID 63422527
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide
CID 106272763
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
CID 61232487
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 39456166

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide (CID 61230956) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide is CCCN(C1CC2CCC(C1)N2)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide?
The InChIKey is UYPLVHMXIHTSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S2/c1-2-7-17(12-8-10-3-4-11(9-12)16-10)21(18,19)14-6-5-13(15)20-14/h5-6,10-12,16H,2-4,7-9H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide has a molecular weight of 393.37 g/mol, XLogP of 3.19, 5 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-propylthiophene-2-sulfonamide is sourced from PubChem (CID 61230956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).