4-[(4-butoxyphenyl)methyl]thiomorpholine

C15H23NOS — CID 2055598

IUPAC4-[(4-butoxyphenyl)methyl]thiomorpholine
SMILESCCCCOc1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C15H23NOS/c1-2-3-10-17-15-6-4-14(5-7-15)13-16-8-11-18-12-9-16/h4-7H,2-3,8-13H2,1H3
InChIKeyAVMIDJMCARKKQD-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.41
Rot. Bonds6

About 4-[(4-butoxyphenyl)methyl]thiomorpholine

4-[(4-butoxyphenyl)methyl]thiomorpholine (PubChem CID 2055598) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-[(4-butoxyphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4-butoxyphenyl)methyl]thiomorpholine
PubChem CID2055598
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-[(4-butoxyphenyl)methyl]thiomorpholine
SMILESCCCCOc1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C15H23NOS/c1-2-3-10-17-15-6-4-14(5-7-15)13-16-8-11-18-12-9-16/h4-7H,2-3,8-13H2,1H3
InChIKeyAVMIDJMCARKKQD-UHFFFAOYSA-N
XLogP3.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-butoxyphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(4-butoxyphenyl)methyl]thiomorpholine (CID 2055598) is 4-[(4-butoxyphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(4-butoxyphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(4-butoxyphenyl)methyl]thiomorpholine is CCCCOc1ccc(CN2CCSCC2)cc1.
What is the InChIKey of 4-[(4-butoxyphenyl)methyl]thiomorpholine?
The InChIKey is AVMIDJMCARKKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-2-3-10-17-15-6-4-14(5-7-15)13-16-8-11-18-12-9-16/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 4-[(4-butoxyphenyl)methyl]thiomorpholine?
4-[(4-butoxyphenyl)methyl]thiomorpholine has a molecular weight of 265.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butoxyphenyl)methyl]thiomorpholine is sourced from PubChem (CID 2055598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).