4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine

C24H33NO2S — CID 27106

IUPAC4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine
SMILESc1ccc2c(CC(CSCCN3CCOCC3)CC3CCCO3)cccc2c1
InChIInChI=1S/C24H33NO2S/c1-2-9-24-21(5-1)6-3-7-22(24)17-20(18-23-8-4-13-27-23)19-28-16-12-25-10-14-26-15-11-25/h1-3,5-7,9,20,23H,4,8,10-19H2
InChIKeyBZZGJBDOMKKAIB-UHFFFAOYSA-N
MW399.60 g/mol
LogP4.63
Rot. Bonds9

About 4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine

4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine (PubChem CID 27106) has the molecular formula C24H33NO2S and a molecular weight of 399.60 g/mol. Its IUPAC name is 4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine
PubChem CID27106
Molecular FormulaC24H33NO2S
Molecular Weight399.60 g/mol
Exact Mass399.22
IUPAC Name4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine
SMILESc1ccc2c(CC(CSCCN3CCOCC3)CC3CCCO3)cccc2c1
InChIInChI=1S/C24H33NO2S/c1-2-9-24-21(5-1)6-3-7-22(24)17-20(18-23-8-4-13-27-23)19-28-16-12-25-10-14-26-15-11-25/h1-3,5-7,9,20,23H,4,8,10-19H2
InChIKeyBZZGJBDOMKKAIB-UHFFFAOYSA-N
XLogP4.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.60
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ammonium, (2-(2-(1-naphthylmethyl)-3-(tetrahydro-2-furyl)propoxy)ethyl)trimethyl-, iodide
CID 18540
Ammonium, diethylmethyl(2-(3-(1-naphthyl)-2-(tetrahydrofurfuryl)propoxy)ethyl)-, iodide
CID 18767
2-Furanpropanethiol, tetrahydro-S-(2-morpholinoethyl)-beta-(1-naphthylmethyl)-, oxalate
CID 27105
2-Furanpropanethiol, tetrahydro-beta-(1-naphthyl)-S-(2-pyrrolidinoethyl)-
CID 39473
2-Furanpropanethiol, tetrahydro-S-(2-morpholinoethyl)-beta-(1-naphthyl)-
CID 39474
4-[3-(Methylthio)propanoyl]-2-(1-naphthylmethyl)morpholine
CID 45234956
Trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium
CID 18541
Diethyl-methyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium
CID 18768
N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine
CID 27102
2-Naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol
CID 27104
N,N-dimethyl-2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 27141
N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 27143

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine?
The IUPAC name of 4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine (CID 27106) is 4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine?
The canonical SMILES for 4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine is c1ccc2c(CC(CSCCN3CCOCC3)CC3CCCO3)cccc2c1.
What is the InChIKey of 4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine?
The InChIKey is BZZGJBDOMKKAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2S/c1-2-9-24-21(5-1)6-3-7-22(24)17-20(18-23-8-4-13-27-23)19-28-16-12-25-10-14-26-15-11-25/h1-3,5-7,9,20,23H,4,8,10-19H2.
What are the key properties of 4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine?
4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine has a molecular weight of 399.60 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine is sourced from PubChem (CID 27106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).