4-[3-(4-iodophenoxy)propyl]thiomorpholine

C13H18INOS — CID 129115433

IUPAC4-[3-(4-iodophenoxy)propyl]thiomorpholine
SMILESIc1ccc(OCCCN2CCSCC2)cc1
InChIInChI=1S/C13H18INOS/c14-12-2-4-13(5-3-12)16-9-1-6-15-7-10-17-11-8-15/h2-5H,1,6-11H2
InChIKeyCTAKXYKQTVXFAF-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.11
Rot. Bonds5

About 4-[3-(4-iodophenoxy)propyl]thiomorpholine

4-[3-(4-iodophenoxy)propyl]thiomorpholine (PubChem CID 129115433) has the molecular formula C13H18INOS and a molecular weight of 363.26 g/mol. Its IUPAC name is 4-[3-(4-iodophenoxy)propyl]thiomorpholine.

Molecular Properties

Compound Name4-[3-(4-iodophenoxy)propyl]thiomorpholine
PubChem CID129115433
Molecular FormulaC13H18INOS
Molecular Weight363.26 g/mol
Exact Mass363.02
IUPAC Name4-[3-(4-iodophenoxy)propyl]thiomorpholine
SMILESIc1ccc(OCCCN2CCSCC2)cc1
InChIInChI=1S/C13H18INOS/c14-12-2-4-13(5-3-12)16-9-1-6-15-7-10-17-11-8-15/h2-5H,1,6-11H2
InChIKeyCTAKXYKQTVXFAF-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-iodophenoxy)butyl]pyrrolidine
CID 2232625
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine
CID 1300408
1-[3-[4-[(Z)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine
CID 67686022
4-(2-thiomorpholin-4-ylethoxy)benzenecarbothioamide
CID 43290506
1-[9-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]nonyl]pyrrolidine
CID 10699116
(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182517
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
2-[4-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]acetonitrile
CID 61419077
(2R)-1-[3-(4-iodophenoxy)propyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 124565487
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
4-(4-butoxyphenyl)thiomorpholine
CID 69160292

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-iodophenoxy)propyl]thiomorpholine?
The IUPAC name of 4-[3-(4-iodophenoxy)propyl]thiomorpholine (CID 129115433) is 4-[3-(4-iodophenoxy)propyl]thiomorpholine.
What is the SMILES notation for 4-[3-(4-iodophenoxy)propyl]thiomorpholine?
The canonical SMILES for 4-[3-(4-iodophenoxy)propyl]thiomorpholine is Ic1ccc(OCCCN2CCSCC2)cc1.
What is the InChIKey of 4-[3-(4-iodophenoxy)propyl]thiomorpholine?
The InChIKey is CTAKXYKQTVXFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INOS/c14-12-2-4-13(5-3-12)16-9-1-6-15-7-10-17-11-8-15/h2-5H,1,6-11H2.
What are the key properties of 4-[3-(4-iodophenoxy)propyl]thiomorpholine?
4-[3-(4-iodophenoxy)propyl]thiomorpholine has a molecular weight of 363.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-iodophenoxy)propyl]thiomorpholine is sourced from PubChem (CID 129115433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).