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

C19H21FN2O2S — CID 69276040

IUPAC8-azabicyclo[3.2.1]octan-3-yl N-(3-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate
SMILESCN(C(=O)OC1CC2CCC(C1)N2)c1cccc(F)c1-c1ccsc1
InChIInChI=1S/C19H21FN2O2S/c1-22(19(23)24-15-9-13-5-6-14(10-15)21-13)17-4-2-3-16(20)18(17)12-7-8-25-11-12/h2-4,7-8,11,13-15,21H,5-6,9-10H2,1H3
InChIKeyWRCYQMGCLVTBBO-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.41
Rot. Bonds3

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

8-azabicyclo[3.2.1]octan-3-yl N-(3-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate (PubChem CID 69276040) 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-(3-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl N-(3-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate
PubChem CID69276040
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl N-(3-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate
SMILESCN(C(=O)OC1CC2CCC(C1)N2)c1cccc(F)c1-c1ccsc1
InChIInChI=1S/C19H21FN2O2S/c1-22(19(23)24-15-9-13-5-6-14(10-15)21-13)17-4-2-3-16(20)18(17)12-7-8-25-11-12/h2-4,7-8,11,13-15,21H,5-6,9-10H2,1H3
InChIKeyWRCYQMGCLVTBBO-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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Related Compounds

[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-2-ylcarbamate bromide
CID 11503335
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate bromide
CID 11518067
[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate bromide
CID 11583261
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate
CID 11617374
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] N-[(3-methylthiophen-2-yl)methyl]-N-phenylcarbamate bromide
CID 11626846
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate bromide
CID 11690967
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] N-[(5-methylthiophen-2-yl)methyl]-N-phenylcarbamate bromide
CID 11712407
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 69444105
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-thiophen-3-yl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141504
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-2-ylcarbamate
CID 11508710
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate
CID 11552174
[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] N-[(3-cyanophenyl)methyl]-N-thiophen-3-ylcarbamate bromide
CID 76316968

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl N-(3-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl N-(3-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate (CID 69276040) is 8-azabicyclo[3.2.1]octan-3-yl N-(3-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl N-(3-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl N-(3-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate is CN(C(=O)OC1CC2CCC(C1)N2)c1cccc(F)c1-c1ccsc1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl N-(3-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate?
The InChIKey is WRCYQMGCLVTBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-22(19(23)24-15-9-13-5-6-14(10-15)21-13)17-4-2-3-16(20)18(17)12-7-8-25-11-12/h2-4,7-8,11,13-15,21H,5-6,9-10H2,1H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl N-(3-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate?
8-azabicyclo[3.2.1]octan-3-yl N-(3-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-(3-fluoro-2-thiophen-3-ylphenyl)-N-methylcarbamate is sourced from PubChem (CID 69276040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).