N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide

C12H15BrN2OS — CID 22350665

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc(Br)s1
InChIInChI=1S/C12H15BrN2OS/c13-11-2-1-10(17-11)12(16)14-9-5-8-3-4-15(6-8)7-9/h1-2,8-9H,3-7H2,(H,14,16)
InChIKeySRPBEPYOFYCVOB-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.33
Rot. Bonds2

About N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide (PubChem CID 22350665) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide
PubChem CID22350665
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc(Br)s1
InChIInChI=1S/C12H15BrN2OS/c13-11-2-1-10(17-11)12(16)14-9-5-8-3-4-15(6-8)7-9/h1-2,8-9H,3-7H2,(H,14,16)
InChIKeySRPBEPYOFYCVOB-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 22350735
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide
CID 22350324
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide
CID 22350651
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 66814630
5-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 17249869
5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide
CID 47909931
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide
CID 22350688
N-(1-azabicyclo[3.2.1]octan-3-yl)thieno[2,3-b]pyridine-6-carboxamide
CID 22389175
5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide
CID 63524780
5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 87047357
N-(1-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 22313423
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide
CID 22573759

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide (CID 22350665) is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide is O=C(NC1CC2CCN(C2)C1)c1ccc(Br)s1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide?
The InChIKey is SRPBEPYOFYCVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c13-11-2-1-10(17-11)12(16)14-9-5-8-3-4-15(6-8)7-9/h1-2,8-9H,3-7H2,(H,14,16).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide is sourced from PubChem (CID 22350665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).