[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate

C20H24N2O2S — CID 69444105

IUPAC[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate
SMILESCN1[C@@H]2CC[C@H]1CC(OC(=O)N(Cc1cccs1)c1ccccc1)C2
InChIInChI=1S/C20H24N2O2S/c1-21-16-9-10-17(21)13-18(12-16)24-20(23)22(14-19-8-5-11-25-19)15-6-3-2-4-7-15/h2-8,11,16-18H,9-10,12-14H2,1H3/t16-,17+,18?
InChIKeyVSHUCQXNUSYTML-JWTNVVGKSA-N
MW356.49 g/mol
LogP4.52
Rot. Bonds4

About [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate (PubChem CID 69444105) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate
PubChem CID69444105
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate
SMILESCN1[C@@H]2CC[C@H]1CC(OC(=O)N(Cc1cccs1)c1ccccc1)C2
InChIInChI=1S/C20H24N2O2S/c1-21-16-9-10-17(21)13-18(12-16)24-20(23)22(14-19-8-5-11-25-19)15-6-3-2-4-7-15/h2-8,11,16-18H,9-10,12-14H2,1H3/t16-,17+,18?
InChIKeyVSHUCQXNUSYTML-JWTNVVGKSA-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 [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate (CID 69444105) is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate is CN1[C@@H]2CC[C@H]1CC(OC(=O)N(Cc1cccs1)c1ccccc1)C2.
What is the InChIKey of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is VSHUCQXNUSYTML-JWTNVVGKSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-21-16-9-10-17(21)13-18(12-16)24-20(23)22(14-19-8-5-11-25-19)15-6-3-2-4-7-15/h2-8,11,16-18H,9-10,12-14H2,1H3/t16-,17+,18?.
What are the key properties of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-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 [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 69444105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).