[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate

C20H24N2O2S — CID 11617374

IUPAC[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate
SMILESCN1[C@@H]2CC[C@H]1CC(OC(=O)N(Cc1ccsc1)c1ccccc1)C2
InChIInChI=1S/C20H24N2O2S/c1-21-17-7-8-18(21)12-19(11-17)24-20(23)22(13-15-9-10-25-14-15)16-5-3-2-4-6-16/h2-6,9-10,14,17-19H,7-8,11-13H2,1H3/t17-,18+,19?
InChIKeyKQJQPAOCEGFVNJ-DFNIBXOVSA-N
MW356.49 g/mol
LogP4.52
Rot. Bonds4

About [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate (PubChem CID 11617374) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate.

Molecular Properties

Compound Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate
PubChem CID11617374
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate
SMILESCN1[C@@H]2CC[C@H]1CC(OC(=O)N(Cc1ccsc1)c1ccccc1)C2
InChIInChI=1S/C20H24N2O2S/c1-21-17-7-8-18(21)12-19(11-17)24-20(23)22(13-15-9-10-25-14-15)16-5-3-2-4-6-16/h2-6,9-10,14,17-19H,7-8,11-13H2,1H3/t17-,18+,19?
InChIKeyKQJQPAOCEGFVNJ-DFNIBXOVSA-N
XLogP4.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
[(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
[(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
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-[(5-methylthiophen-2-yl)methyl]-N-phenylcarbamate
CID 76320694
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-[(3-methylthiophen-2-yl)methyl]-N-phenylcarbamate
CID 76324336

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate?
The IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate (CID 11617374) is [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate.
What is the SMILES notation for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate?
The canonical SMILES for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate is CN1[C@@H]2CC[C@H]1CC(OC(=O)N(Cc1ccsc1)c1ccccc1)C2.
What is the InChIKey of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate?
The InChIKey is KQJQPAOCEGFVNJ-DFNIBXOVSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-21-17-7-8-18(21)12-19(11-17)24-20(23)22(13-15-9-10-25-14-15)16-5-3-2-4-6-16/h2-6,9-10,14,17-19H,7-8,11-13H2,1H3/t17-,18+,19?.
What are the key properties of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate?
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate has a molecular weight of 356.49 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate is sourced from PubChem (CID 11617374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).