4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol

C11H23NO2S — CID 114953922

IUPAC4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCS)CC1(O)CCOCC1
InChIInChI=1S/C11H23NO2S/c1-12(6-2-3-9-15)10-11(13)4-7-14-8-5-11/h13,15H,2-10H2,1H3
InChIKeyOHGWZSPVNZJSAS-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.17
Rot. Bonds6

About 4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol

4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol (PubChem CID 114953922) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
PubChem CID114953922
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCS)CC1(O)CCOCC1
InChIInChI=1S/C11H23NO2S/c1-12(6-2-3-9-15)10-11(13)4-7-14-8-5-11/h13,15H,2-10H2,1H3
InChIKeyOHGWZSPVNZJSAS-UHFFFAOYSA-N
XLogP1.17
TPSA32.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-[[methyl(4-sulfanylbutyl)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(9-sulfanylnonyl)amino]methyl]oxan-4-ol
CID 105344297
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol
CID 105343882
4-[[5-chloropentyl(methyl)amino]methyl]oxan-4-ol
CID 114952437
4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol
CID 115746964
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol
CID 114952488
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
CID 115746978
4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
CID 115746956
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol (CID 114953922) is 4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol is CN(CCCCS)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol?
The InChIKey is OHGWZSPVNZJSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-12(6-2-3-9-15)10-11(13)4-7-14-8-5-11/h13,15H,2-10H2,1H3.
What are the key properties of 4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol?
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol has a molecular weight of 233.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114953922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).