8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate

C20H24N2O2S — CID 11573985

IUPAC8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate
SMILESCc1cccc(-c2ccsc2)c1NC(=O)OCC1CC2CCC(C1)N2
InChIInChI=1S/C20H24N2O2S/c1-13-3-2-4-18(15-7-8-25-12-15)19(13)22-20(23)24-11-14-9-16-5-6-17(10-14)21-16/h2-4,7-8,12,14,16-17,21H,5-6,9-11H2,1H3,(H,22,23)
InChIKeyUSKFGDIMMVJRGB-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.80
Rot. Bonds4

About 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate

8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate (PubChem CID 11573985) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate
PubChem CID11573985
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate
SMILESCc1cccc(-c2ccsc2)c1NC(=O)OCC1CC2CCC(C1)N2
InChIInChI=1S/C20H24N2O2S/c1-13-3-2-4-18(15-7-8-25-12-15)19(13)22-20(23)24-11-14-9-16-5-6-17(10-14)21-16/h2-4,7-8,12,14,16-17,21H,5-6,9-11H2,1H3,(H,22,23)
InChIKeyUSKFGDIMMVJRGB-UHFFFAOYSA-N
XLogP4.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate
CID 91189456
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-[2-(4-phenylphenyl)phenyl]carbamate
CID 69311024
8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate
CID 11394093
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate
CID 11260212
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride
CID 119684592
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate
CID 90851842
(1-methylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate
CID 30374
9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate
CID 171951173
9H-fluoren-9-ylmethyl N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171951138
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
(1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate
CID 28801
8-azabicyclo[3.2.1]octan-3-ylmethyl N-thiophen-3-yl-N-[(2,4,5-trifluorophenyl)methyl]carbamate
CID 69443258

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate (CID 11573985) is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate is Cc1cccc(-c2ccsc2)c1NC(=O)OCC1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate?
The InChIKey is USKFGDIMMVJRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-13-3-2-4-18(15-7-8-25-12-15)19(13)22-20(23)24-11-14-9-16-5-6-17(10-14)21-16/h2-4,7-8,12,14,16-17,21H,5-6,9-11H2,1H3,(H,22,23).
What are the key properties of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate?
8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate has a molecular weight of 356.49 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate is sourced from PubChem (CID 11573985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).