N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide

C13H16F2N2O2S — CID 119459623

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1sccc1OC(F)F
InChIInChI=1S/C13H16F2N2O2S/c14-13(15)19-10-3-4-20-11(10)12(18)17-9-5-7-1-2-8(6-9)16-7/h3-4,7-9,13,16H,1-2,5-6H2,(H,17,18)
InChIKeyHLWPDWVVMZRMRU-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.36
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide (PubChem CID 119459623) has the molecular formula C13H16F2N2O2S and a molecular weight of 302.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide
PubChem CID119459623
Molecular FormulaC13H16F2N2O2S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1sccc1OC(F)F
InChIInChI=1S/C13H16F2N2O2S/c14-13(15)19-10-3-4-20-11(10)12(18)17-9-5-7-1-2-8(6-9)16-7/h3-4,7-9,13,16H,1-2,5-6H2,(H,17,18)
InChIKeyHLWPDWVVMZRMRU-UHFFFAOYSA-N
XLogP2.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide (CID 119459623) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide is O=C(NC1CC2CCC(C1)N2)c1sccc1OC(F)F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide?
The InChIKey is HLWPDWVVMZRMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2S/c14-13(15)19-10-3-4-20-11(10)12(18)17-9-5-7-1-2-8(6-9)16-7/h3-4,7-9,13,16H,1-2,5-6H2,(H,17,18).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 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)-3-(difluoromethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 119459623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).