[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate

C20H24N2O2S — CID 11552174

IUPAC[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate
SMILESCN1[C@@H]2CC[C@H]1CC(OC(=O)N(Cc1ccccc1)c1ccsc1)C2
InChIInChI=1S/C20H24N2O2S/c1-21-16-7-8-17(21)12-19(11-16)24-20(23)22(18-9-10-25-14-18)13-15-5-3-2-4-6-15/h2-6,9-10,14,16-17,19H,7-8,11-13H2,1H3/t16-,17+,19?
InChIKeyHVRWHBXGKRCKSP-JJTKIYQPSA-N
MW356.49 g/mol
LogP4.52
Rot. Bonds4

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

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate (PubChem CID 11552174) 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-benzyl-N-thiophen-3-ylcarbamate.

Molecular Properties

Compound Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate
PubChem CID11552174
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-benzyl-N-thiophen-3-ylcarbamate
SMILESCN1[C@@H]2CC[C@H]1CC(OC(=O)N(Cc1ccccc1)c1ccsc1)C2
InChIInChI=1S/C20H24N2O2S/c1-21-16-7-8-17(21)12-19(11-16)24-20(23)22(18-9-10-25-14-18)13-15-5-3-2-4-6-15/h2-6,9-10,14,16-17,19H,7-8,11-13H2,1H3/t16-,17+,19?
InChIKeyHVRWHBXGKRCKSP-JJTKIYQPSA-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

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate?
The IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate (CID 11552174) is [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate.
What is the SMILES notation for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate?
The canonical SMILES for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate is CN1[C@@H]2CC[C@H]1CC(OC(=O)N(Cc1ccccc1)c1ccsc1)C2.
What is the InChIKey of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate?
The InChIKey is HVRWHBXGKRCKSP-JJTKIYQPSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-21-16-7-8-17(21)12-19(11-16)24-20(23)22(18-9-10-25-14-18)13-15-5-3-2-4-6-15/h2-6,9-10,14,16-17,19H,7-8,11-13H2,1H3/t16-,17+,19?.
What are the key properties of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate?
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-benzyl-N-thiophen-3-ylcarbamate 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-benzyl-N-thiophen-3-ylcarbamate is sourced from PubChem (CID 11552174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).