[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate

C16H22N2O3S — CID 5293832

IUPAC[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate
SMILESO=C(NC(=O)c1cccs1)OC[C@@H]1CCCN2CCCCC12
InChIInChI=1S/C16H22N2O3S/c19-15(14-7-4-10-22-14)17-16(20)21-11-12-5-3-9-18-8-2-1-6-13(12)18/h4,7,10,12-13H,1-3,5-6,8-9,11H2,(H,17,19,20)/t12-,13?/m0/s1
InChIKeyOYSBOQSTNMBOFY-UEWDXFNNSA-N
MW322.43 g/mol
LogP2.88
Rot. Bonds3

About [(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate

[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate (PubChem CID 5293832) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is [(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate.

Molecular Properties

Compound Name[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate
PubChem CID5293832
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate
SMILESO=C(NC(=O)c1cccs1)OC[C@@H]1CCCN2CCCCC12
InChIInChI=1S/C16H22N2O3S/c19-15(14-7-4-10-22-14)17-16(20)21-11-12-5-3-9-18-8-2-1-6-13(12)18/h4,7,10,12-13H,1-3,5-6,8-9,11H2,(H,17,19,20)/t12-,13?/m0/s1
InChIKeyOYSBOQSTNMBOFY-UEWDXFNNSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate?
The IUPAC name of [(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate (CID 5293832) is [(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate.
What is the SMILES notation for [(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate?
The canonical SMILES for [(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate is O=C(NC(=O)c1cccs1)OC[C@@H]1CCCN2CCCCC12.
What is the InChIKey of [(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate?
The InChIKey is OYSBOQSTNMBOFY-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-15(14-7-4-10-22-14)17-16(20)21-11-12-5-3-9-18-8-2-1-6-13(12)18/h4,7,10,12-13H,1-3,5-6,8-9,11H2,(H,17,19,20)/t12-,13?/m0/s1.
What are the key properties of [(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate?
[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate has a molecular weight of 322.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(thiophene-2-carbonyl)carbamate is sourced from PubChem (CID 5293832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).