4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol

C9H19NO2S — CID 63967145

IUPAC4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol
SMILESCSCC(C)CNC1COCC1O
InChIInChI=1S/C9H19NO2S/c1-7(6-13-2)3-10-8-4-12-5-9(8)11/h7-11H,3-6H2,1-2H3
InChIKeyYKKOWAHONPUOAF-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.33
Rot. Bonds5

About 4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol

4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol (PubChem CID 63967145) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol
PubChem CID63967145
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol
SMILESCSCC(C)CNC1COCC1O
InChIInChI=1S/C9H19NO2S/c1-7(6-13-2)3-10-8-4-12-5-9(8)11/h7-11H,3-6H2,1-2H3
InChIKeyYKKOWAHONPUOAF-UHFFFAOYSA-N
XLogP0.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol?
The IUPAC name of 4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol (CID 63967145) is 4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol?
The canonical SMILES for 4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol is CSCC(C)CNC1COCC1O.
What is the InChIKey of 4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol?
The InChIKey is YKKOWAHONPUOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(6-13-2)3-10-8-4-12-5-9(8)11/h7-11H,3-6H2,1-2H3.
What are the key properties of 4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol?
4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol has a molecular weight of 205.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol is sourced from PubChem (CID 63967145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).