8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate

C19H21FN2O2S — CID 69276504

IUPAC8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate
SMILESCN(C(=O)OC1CC2CCC(C1)N2)c1ccc(F)cc1-c1ccsc1
InChIInChI=1S/C19H21FN2O2S/c1-22(19(23)24-16-9-14-3-4-15(10-16)21-14)18-5-2-13(20)8-17(18)12-6-7-25-11-12/h2,5-8,11,14-16,21H,3-4,9-10H2,1H3
InChIKeyGIAVZNZLAGMOOQ-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.41
Rot. Bonds3

About 8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate

8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate (PubChem CID 69276504) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate
PubChem CID69276504
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate
SMILESCN(C(=O)OC1CC2CCC(C1)N2)c1ccc(F)cc1-c1ccsc1
InChIInChI=1S/C19H21FN2O2S/c1-22(19(23)24-16-9-14-3-4-15(10-16)21-14)18-5-2-13(20)8-17(18)12-6-7-25-11-12/h2,5-8,11,14-16,21H,3-4,9-10H2,1H3
InChIKeyGIAVZNZLAGMOOQ-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate (CID 69276504) is 8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate is CN(C(=O)OC1CC2CCC(C1)N2)c1ccc(F)cc1-c1ccsc1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate?
The InChIKey is GIAVZNZLAGMOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-22(19(23)24-16-9-14-3-4-15(10-16)21-14)18-5-2-13(20)8-17(18)12-6-7-25-11-12/h2,5-8,11,14-16,21H,3-4,9-10H2,1H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate?
8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate has a molecular weight of 360.45 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl N-(4-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate is sourced from PubChem (CID 69276504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).