4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine

C22H44N2O3S2 — CID 154659214

IUPAC4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine
SMILESCC(CCSCCN1CCOCC1)COCCC(C)(C)SCCN1CCOCC1
InChIInChI=1S/C22H44N2O3S2/c1-21(4-17-28-18-10-23-6-13-25-14-7-23)20-27-12-5-22(2,3)29-19-11-24-8-15-26-16-9-24/h21H,4-20H2,1-3H3
InChIKeyUYXQTFNIQCTSHH-UHFFFAOYSA-N
MW448.74 g/mol
LogP3.33
Rot. Bonds15

About 4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine

4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine (PubChem CID 154659214) has the molecular formula C22H44N2O3S2 and a molecular weight of 448.74 g/mol. Its IUPAC name is 4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine
PubChem CID154659214
Molecular FormulaC22H44N2O3S2
Molecular Weight448.74 g/mol
Exact Mass448.28
IUPAC Name4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine
SMILESCC(CCSCCN1CCOCC1)COCCC(C)(C)SCCN1CCOCC1
InChIInChI=1S/C22H44N2O3S2/c1-21(4-17-28-18-10-23-6-13-25-14-7-23)20-27-12-5-22(2,3)29-19-11-24-8-15-26-16-9-24/h21H,4-20H2,1-3H3
InChIKeyUYXQTFNIQCTSHH-UHFFFAOYSA-N
XLogP3.33
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.74
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3,3,6-trimethylheptyldisulfanyl)ethyl]morpholine
CID 126560737
4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine
CID 134232913
4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine
CID 10831318
4-[(4S)-6-methoxy-4-methylhexyl]morpholine
CID 174809436
(2,6,6-trimethyl-13-morpholin-4-yltridecyl) 2-methylprop-2-enoate
CID 139996527
4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine
CID 118259793
4,4-dimethyl-1-morpholin-4-ylpentan-3-ol
CID 62622858
4-[(3S)-3-methylpentyl]morpholine
CID 167092878
4-[2-(4,4,5,5-tetramethylhexoxy)ethyl]morpholine
CID 138647821
4-(4-methylnonyl)morpholine
CID 170444016
4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperidine
CID 158440529
2-methyl-1-(2-morpholin-4-ylethoxy)propan-2-amine
CID 64537619

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine?
The IUPAC name of 4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine (CID 154659214) is 4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine.
What is the SMILES notation for 4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine?
The canonical SMILES for 4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine is CC(CCSCCN1CCOCC1)COCCC(C)(C)SCCN1CCOCC1.
What is the InChIKey of 4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine?
The InChIKey is UYXQTFNIQCTSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O3S2/c1-21(4-17-28-18-10-23-6-13-25-14-7-23)20-27-12-5-22(2,3)29-19-11-24-8-15-26-16-9-24/h21H,4-20H2,1-3H3.
What are the key properties of 4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine?
4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine has a molecular weight of 448.74 g/mol, XLogP of 3.33, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methyl-4-[2-methyl-4-(2-morpholin-4-ylethylsulfanyl)butoxy]butan-2-yl]sulfanylethyl]morpholine is sourced from PubChem (CID 154659214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).