naphthalen-1-yl thiomorpholine-4-carboxylate

C15H15NO2S — CID 138533444

IUPACnaphthalen-1-yl thiomorpholine-4-carboxylate
SMILESO=C(Oc1cccc2ccccc12)N1CCSCC1
InChIInChI=1S/C15H15NO2S/c17-15(16-8-10-19-11-9-16)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2
InChIKeyFYJBKMNONGKGSF-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.39
Rot. Bonds1

About naphthalen-1-yl thiomorpholine-4-carboxylate

naphthalen-1-yl thiomorpholine-4-carboxylate (PubChem CID 138533444) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is naphthalen-1-yl thiomorpholine-4-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-yl thiomorpholine-4-carboxylate
PubChem CID138533444
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Namenaphthalen-1-yl thiomorpholine-4-carboxylate
SMILESO=C(Oc1cccc2ccccc12)N1CCSCC1
InChIInChI=1S/C15H15NO2S/c17-15(16-8-10-19-11-9-16)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2
InChIKeyFYJBKMNONGKGSF-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate
CID 23766816
(4-phenoxyphenyl) thiomorpholine-4-carboxylate
CID 15225159
N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide
CID 111074015
4-(2-naphthalen-1-yloxyethyl)thiomorpholine
CID 48568928
[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate
CID 649992
(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate
CID 170622073
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
naphthalen-1-yl (3S,5R,9R)-5-hydroxy-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxylate
CID 126460530
naphthalen-1-yl 2-chloroacetate
CID 588968
naphthalen-1-yl 2-amino-2-methylpropanoate
CID 70178534
naphthalen-1-yl prop-2-enoate
CID 10192638
naphthalen-1-yl N-methylcarbamate
CID 23447097

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl thiomorpholine-4-carboxylate?
The IUPAC name of naphthalen-1-yl thiomorpholine-4-carboxylate (CID 138533444) is naphthalen-1-yl thiomorpholine-4-carboxylate.
What is the SMILES notation for naphthalen-1-yl thiomorpholine-4-carboxylate?
The canonical SMILES for naphthalen-1-yl thiomorpholine-4-carboxylate is O=C(Oc1cccc2ccccc12)N1CCSCC1.
What is the InChIKey of naphthalen-1-yl thiomorpholine-4-carboxylate?
The InChIKey is FYJBKMNONGKGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-15(16-8-10-19-11-9-16)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2.
What are the key properties of naphthalen-1-yl thiomorpholine-4-carboxylate?
naphthalen-1-yl thiomorpholine-4-carboxylate has a molecular weight of 273.36 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl thiomorpholine-4-carboxylate is sourced from PubChem (CID 138533444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).