4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine

C16H19NOS — CID 743359

IUPAC4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine
SMILESCOc1ccc2ccccc2c1CN1CCSCC1
InChIInChI=1S/C16H19NOS/c1-18-16-7-6-13-4-2-3-5-14(13)15(16)12-17-8-10-19-11-9-17/h2-7H,8-12H2,1H3
InChIKeyCTANMUUMVKQBQS-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.40
Rot. Bonds3

About 4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine

4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine (PubChem CID 743359) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine
PubChem CID743359
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine
SMILESCOc1ccc2ccccc2c1CN1CCSCC1
InChIInChI=1S/C16H19NOS/c1-18-16-7-6-13-4-2-3-5-14(13)15(16)12-17-8-10-19-11-9-17/h2-7H,8-12H2,1H3
InChIKeyCTANMUUMVKQBQS-UHFFFAOYSA-N
XLogP3.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine?
The IUPAC name of 4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine (CID 743359) is 4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine?
The canonical SMILES for 4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine is COc1ccc2ccccc2c1CN1CCSCC1.
What is the InChIKey of 4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine?
The InChIKey is CTANMUUMVKQBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-18-16-7-6-13-4-2-3-5-14(13)15(16)12-17-8-10-19-11-9-17/h2-7H,8-12H2,1H3.
What are the key properties of 4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine?
4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine has a molecular weight of 273.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxynaphthalen-1-yl)methyl]thiomorpholine is sourced from PubChem (CID 743359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).