2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol

C10H21NO2S — CID 66103233

IUPAC2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol
SMILESCNC1CCOCC1SCC(C)CO
InChIInChI=1S/C10H21NO2S/c1-8(5-12)7-14-10-6-13-4-3-9(10)11-2/h8-12H,3-7H2,1-2H3
InChIKeyFUQFMGNYCPUOKS-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.72
Rot. Bonds5

About 2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol

2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol (PubChem CID 66103233) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol
PubChem CID66103233
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol
SMILESCNC1CCOCC1SCC(C)CO
InChIInChI=1S/C10H21NO2S/c1-8(5-12)7-14-10-6-13-4-3-9(10)11-2/h8-12H,3-7H2,1-2H3
InChIKeyFUQFMGNYCPUOKS-UHFFFAOYSA-N
XLogP0.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol?
The IUPAC name of 2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol (CID 66103233) is 2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol is CNC1CCOCC1SCC(C)CO.
What is the InChIKey of 2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol?
The InChIKey is FUQFMGNYCPUOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(5-12)7-14-10-6-13-4-3-9(10)11-2/h8-12H,3-7H2,1-2H3.
What are the key properties of 2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol?
2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol has a molecular weight of 219.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol is sourced from PubChem (CID 66103233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).