[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate

C18H22N2O3S — CID 10132379

IUPAC[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(O[C@H]1CN2CCC1CC2)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C18H22N2O3S/c21-18(23-17-13-19-7-5-14(17)6-8-19)20(11-15-3-1-9-22-15)12-16-4-2-10-24-16/h1-4,9-10,14,17H,5-8,11-13H2/t17-/m0/s1
InChIKeyWNDVNZKIHMPJIK-KRWDZBQOSA-N
MW346.45 g/mol
LogP3.57
Rot. Bonds5

About [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate (PubChem CID 10132379) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate
PubChem CID10132379
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(O[C@H]1CN2CCC1CC2)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C18H22N2O3S/c21-18(23-17-13-19-7-5-14(17)6-8-19)20(11-15-3-1-9-22-15)12-16-4-2-10-24-16/h1-4,9-10,14,17H,5-8,11-13H2/t17-/m0/s1
InChIKeyWNDVNZKIHMPJIK-KRWDZBQOSA-N
XLogP3.57
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate
CID 173233418
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 60938375
N,1-bis(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78781697
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60938376
N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461194
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
(3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51933773
N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 134059206
(3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 8010743

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate (CID 10132379) is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate is O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is WNDVNZKIHMPJIK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-18(23-17-13-19-7-5-14(17)6-8-19)20(11-15-3-1-9-22-15)12-16-4-2-10-24-16/h1-4,9-10,14,17H,5-8,11-13H2/t17-/m0/s1.
What are the key properties of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate?
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 346.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 10132379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).