N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide

C12H14Cl2N2OS — CID 103805907

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H14Cl2N2OS/c13-10-5-9(11(14)18-10)12(17)16-8-3-6-1-2-7(4-8)15-6/h5-8,15H,1-4H2,(H,16,17)
InChIKeyZHKHRXKIGYBHQN-UHFFFAOYSA-N
MW305.23 g/mol
LogP3.07
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 103805907) has the molecular formula C12H14Cl2N2OS and a molecular weight of 305.23 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID103805907
Molecular FormulaC12H14Cl2N2OS
Molecular Weight305.23 g/mol
Exact Mass304.02
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H14Cl2N2OS/c13-10-5-9(11(14)18-10)12(17)16-8-3-6-1-2-7(4-8)15-6/h5-8,15H,1-4H2,(H,16,17)
InChIKeyZHKHRXKIGYBHQN-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide
CID 107963472
2,5-dichloro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119387750
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide
CID 119457942
N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride
CID 119476389
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
CID 119459232
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide
CID 119459098
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride
CID 119455408
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride
CID 119455226
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride
CID 119458491
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 119458580

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide (CID 103805907) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide is O=C(NC1CC2CCC(C1)N2)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is ZHKHRXKIGYBHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2OS/c13-10-5-9(11(14)18-10)12(17)16-8-3-6-1-2-7(4-8)15-6/h5-8,15H,1-4H2,(H,16,17).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 305.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 103805907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).