3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol

C9H21NO2S — CID 107511493

IUPAC3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol
SMILESCNC(COC)CSCC(C)CO
InChIInChI=1S/C9H21NO2S/c1-8(4-11)6-13-7-9(10-2)5-12-3/h8-11H,4-7H2,1-3H3
InChIKeyXUQAMZLTGDJHRN-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.58
Rot. Bonds8

About 3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol

3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol (PubChem CID 107511493) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol
PubChem CID107511493
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol
SMILESCNC(COC)CSCC(C)CO
InChIInChI=1S/C9H21NO2S/c1-8(4-11)6-13-7-9(10-2)5-12-3/h8-11H,4-7H2,1-3H3
InChIKeyXUQAMZLTGDJHRN-UHFFFAOYSA-N
XLogP0.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol (CID 107511493) is 3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol is CNC(COC)CSCC(C)CO.
What is the InChIKey of 3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol?
The InChIKey is XUQAMZLTGDJHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-8(4-11)6-13-7-9(10-2)5-12-3/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol?
3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol has a molecular weight of 207.34 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 107511493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).