1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate

C15H19NO2S — CID 82905096

IUPAC1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate
SMILESO=C(OC1CCCc2ccccc21)C1CSCCN1
InChIInChI=1S/C15H19NO2S/c17-15(13-10-19-9-8-16-13)18-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,13-14,16H,3,5,7-10H2
InChIKeyADROPOVOJNASLC-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.31
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate

1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate (PubChem CID 82905096) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate
PubChem CID82905096
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate
SMILESO=C(OC1CCCc2ccccc21)C1CSCCN1
InChIInChI=1S/C15H19NO2S/c17-15(13-10-19-9-8-16-13)18-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,13-14,16H,3,5,7-10H2
InChIKeyADROPOVOJNASLC-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate
CID 61277484
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone
CID 116609481
1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate
CID 64603582
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
cyclopentyl thiomorpholine-3-carboxylate
CID 82904457
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] benzoate
CID 100999748
N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide
CID 119936952
1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate
CID 106978098
1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate
CID 63125791
N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
CID 82906018
1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate
CID 61279700

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate (CID 82905096) is 1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate is O=C(OC1CCCc2ccccc21)C1CSCCN1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate?
The InChIKey is ADROPOVOJNASLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c17-15(13-10-19-9-8-16-13)18-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,13-14,16H,3,5,7-10H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate?
1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate has a molecular weight of 277.39 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate is sourced from PubChem (CID 82905096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).