4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine

C18H23NOS — CID 3055300

IUPAC4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine
SMILESCOc1ccc2cc(C(C)CN3CCSCC3)ccc2c1
InChIInChI=1S/C18H23NOS/c1-14(13-19-7-9-21-10-8-19)15-3-4-17-12-18(20-2)6-5-16(17)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyXJFSOYAMJALDBY-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.00
Rot. Bonds4

About 4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine

4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine (PubChem CID 3055300) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine
PubChem CID3055300
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine
SMILESCOc1ccc2cc(C(C)CN3CCSCC3)ccc2c1
InChIInChI=1S/C18H23NOS/c1-14(13-19-7-9-21-10-8-19)15-3-4-17-12-18(20-2)6-5-16(17)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyXJFSOYAMJALDBY-UHFFFAOYSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine?
The IUPAC name of 4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine (CID 3055300) is 4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine.
What is the SMILES notation for 4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine?
The canonical SMILES for 4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine is COc1ccc2cc(C(C)CN3CCSCC3)ccc2c1.
What is the InChIKey of 4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine?
The InChIKey is XJFSOYAMJALDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-14(13-19-7-9-21-10-8-19)15-3-4-17-12-18(20-2)6-5-16(17)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of 4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine?
4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine has a molecular weight of 301.46 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine is sourced from PubChem (CID 3055300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).