8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine

C11H15BrN2O2S2 — CID 61234061

IUPAC8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2O2S2/c12-10-3-4-11(17-10)18(15,16)14-8-1-2-9(14)6-7(13)5-8/h3-4,7-9H,1-2,5-6,13H2
InChIKeyHWIPGAAVPRULOA-UHFFFAOYSA-N
MW351.29 g/mol
LogP2.15
Rot. Bonds2

About 8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine

8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61234061) has the molecular formula C11H15BrN2O2S2 and a molecular weight of 351.29 g/mol. Its IUPAC name is 8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61234061
Molecular FormulaC11H15BrN2O2S2
Molecular Weight351.29 g/mol
Exact Mass349.98
IUPAC Name8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2O2S2/c12-10-3-4-11(17-10)18(15,16)14-8-1-2-9(14)6-7(13)5-8/h3-4,7-9H,1-2,5-6,13H2
InChIKeyHWIPGAAVPRULOA-UHFFFAOYSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]thiophene-2-carbonitrile
CID 106272768
8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61235921
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253
1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778998
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
CID 63844505
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61144941
1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine
CID 115872296
1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594043
2-[1-(5-bromothiophen-2-yl)sulfonylazetidin-3-yl]acetic acid
CID 64619030
8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61235732

Frequently Asked Questions

What is the IUPAC name of 8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61234061) is 8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is HWIPGAAVPRULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S2/c12-10-3-4-11(17-10)18(15,16)14-8-1-2-9(14)6-7(13)5-8/h3-4,7-9H,1-2,5-6,13H2.
What are the key properties of 8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 351.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61234061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).