4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol

C16H33NO2S — CID 105344297

IUPAC4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCCCCCCS)CC1(O)CCOCC1
InChIInChI=1S/C16H33NO2S/c1-17(15-16(18)9-12-19-13-10-16)11-7-5-3-2-4-6-8-14-20/h18,20H,2-15H2,1H3
InChIKeyAYUZRBPEQKFJRI-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.12
Rot. Bonds11

About 4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol

4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol (PubChem CID 105344297) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is 4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol
PubChem CID105344297
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC Name4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCCCCCCS)CC1(O)CCOCC1
InChIInChI=1S/C16H33NO2S/c1-17(15-16(18)9-12-19-13-10-16)11-7-5-3-2-4-6-8-14-20/h18,20H,2-15H2,1H3
InChIKeyAYUZRBPEQKFJRI-UHFFFAOYSA-N
XLogP3.12
TPSA32.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 53.12
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'}

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Related Compounds

4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
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-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
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-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
CID 115746956

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol (CID 105344297) is 4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol is CN(CCCCCCCCCS)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol?
The InChIKey is AYUZRBPEQKFJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-17(15-16(18)9-12-19-13-10-16)11-7-5-3-2-4-6-8-14-20/h18,20H,2-15H2,1H3.
What are the key properties of 4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol?
4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol has a molecular weight of 303.51 g/mol, XLogP of 3.12, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 105344297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).