4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol

C11H23NO2S — CID 114952749

IUPAC4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol
SMILESCCSCCN(C)CC1(O)CCOCC1
InChIInChI=1S/C11H23NO2S/c1-3-15-9-6-12(2)10-11(13)4-7-14-8-5-11/h13H,3-10H2,1-2H3
InChIKeyZYSQAAOSQCHJNF-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.21
Rot. Bonds6

About 4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol

4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 114952749) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol
PubChem CID114952749
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol
SMILESCCSCCN(C)CC1(O)CCOCC1
InChIInChI=1S/C11H23NO2S/c1-3-15-9-6-12(2)10-11(13)4-7-14-8-5-11/h13H,3-10H2,1-2H3
InChIKeyZYSQAAOSQCHJNF-UHFFFAOYSA-N
XLogP1.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
CID 115746978
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
4-[[5-chloropentyl(methyl)amino]methyl]oxan-4-ol
CID 114952437
4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol
CID 105343882
4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol
CID 105344297
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol
CID 114952488

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol (CID 114952749) is 4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol is CCSCCN(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is ZYSQAAOSQCHJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-15-9-6-12(2)10-11(13)4-7-14-8-5-11/h13H,3-10H2,1-2H3.
What are the key properties of 4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol?
4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 233.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114952749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).