5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde

C11H13NO2S — CID 66391735

IUPAC5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CC3CCC(C2)O3)s1
InChIInChI=1S/C11H13NO2S/c13-7-10-3-4-11(15-10)12-5-8-1-2-9(6-12)14-8/h3-4,7-9H,1-2,5-6H2
InChIKeyFUDSHFZIDRTALS-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.93
Rot. Bonds2

About 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde

5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde (PubChem CID 66391735) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde
PubChem CID66391735
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CC3CCC(C2)O3)s1
InChIInChI=1S/C11H13NO2S/c13-7-10-3-4-11(15-10)12-5-8-1-2-9(6-12)14-8/h3-4,7-9H,1-2,5-6H2
InChIKeyFUDSHFZIDRTALS-UHFFFAOYSA-N
XLogP1.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(5-formylthiophen-2-yl)azetidine-3-carboxamide
CID 131071616
5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde
CID 107227802
5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde
CID 81205138
2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzaldehyde
CID 66391144
2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzaldehyde
CID 66392125
3-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzaldehyde
CID 66391536
5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
CID 130933426
5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde
CID 60658709
5-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]thiophene-2-carbaldehyde
CID 130608368
5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde
CID 122399598
(5R)-3-(4-iodo-1,3-benzothiazol-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 171565074
5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde
CID 50901715

Frequently Asked Questions

What is the IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde (CID 66391735) is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde is O=Cc1ccc(N2CC3CCC(C2)O3)s1.
What is the InChIKey of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde?
The InChIKey is FUDSHFZIDRTALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-7-10-3-4-11(15-10)12-5-8-1-2-9(6-12)14-8/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde?
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde has a molecular weight of 223.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 66391735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).