8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid

C20H23FN2O2S — CID 69442470

IUPAC8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid
SMILESO=C(O)N(CC1CC2CCC(C1)N2)c1ccsc1Cc1cccc(F)c1
InChIInChI=1S/C20H23FN2O2S/c21-15-3-1-2-13(8-15)11-19-18(6-7-26-19)23(20(24)25)12-14-9-16-4-5-17(10-14)22-16/h1-3,6-8,14,16-17,22H,4-5,9-12H2,(H,24,25)
InChIKeyFDZJREZYDFZDHJ-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.49
Rot. Bonds5

About 8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid

8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid (PubChem CID 69442470) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid
PubChem CID69442470
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid
SMILESO=C(O)N(CC1CC2CCC(C1)N2)c1ccsc1Cc1cccc(F)c1
InChIInChI=1S/C20H23FN2O2S/c21-15-3-1-2-13(8-15)11-19-18(6-7-26-19)23(20(24)25)12-14-9-16-4-5-17(10-14)22-16/h1-3,6-8,14,16-17,22H,4-5,9-12H2,(H,24,25)
InChIKeyFDZJREZYDFZDHJ-UHFFFAOYSA-N
XLogP4.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-azabicyclo[3.2.1]octan-3-ylmethyl-[3-[(2,5-difluorophenyl)methyl]thiophen-2-yl]carbamic acid
CID 69438004
8-azabicyclo[3.2.1]octan-3-ylmethyl-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
CID 69438251
2-[(3-fluorophenyl)methyl]thiophene-3-carboxylic acid
CID 71773236
8-azabicyclo[3.2.1]octan-3-ylmethyl-[3-[(2-fluorophenyl)methyl]thiophen-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
CID 69440767
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 79614978
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 119736886
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944857
8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate
CID 69439371
(4-fluoro-2-phenylphenyl)-[[(3S)-pyrrolidin-3-yl]methyl]carbamic acid
CID 121411484
N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114832258
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide;hydrochloride
CID 119712202
3-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 63639033

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid (CID 69442470) is 8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid is O=C(O)N(CC1CC2CCC(C1)N2)c1ccsc1Cc1cccc(F)c1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid?
The InChIKey is FDZJREZYDFZDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c21-15-3-1-2-13(8-15)11-19-18(6-7-26-19)23(20(24)25)12-14-9-16-4-5-17(10-14)22-16/h1-3,6-8,14,16-17,22H,4-5,9-12H2,(H,24,25).
What are the key properties of 8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid?
8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid has a molecular weight of 374.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid is sourced from PubChem (CID 69442470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).