1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol

C11H25NO4S — CID 64631835

IUPAC1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
SMILESCC(C)COCC(O)CNC(C)CS(C)(=O)=O
InChIInChI=1S/C11H25NO4S/c1-9(2)6-16-7-11(13)5-12-10(3)8-17(4,14)15/h9-13H,5-8H2,1-4H3
InChIKeyLTKIRQXEUSPGAT-UHFFFAOYSA-N
MW267.39 g/mol
LogP0.04
Rot. Bonds9

About 1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol

1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol (PubChem CID 64631835) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
PubChem CID64631835
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC Name1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
SMILESCC(C)COCC(O)CNC(C)CS(C)(=O)=O
InChIInChI=1S/C11H25NO4S/c1-9(2)6-16-7-11(13)5-12-10(3)8-17(4,14)15/h9-13H,5-8H2,1-4H3
InChIKeyLTKIRQXEUSPGAT-UHFFFAOYSA-N
XLogP0.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol (CID 64631835) is 1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol is CC(C)COCC(O)CNC(C)CS(C)(=O)=O.
What is the InChIKey of 1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
The InChIKey is LTKIRQXEUSPGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-9(2)6-16-7-11(13)5-12-10(3)8-17(4,14)15/h9-13H,5-8H2,1-4H3.
What are the key properties of 1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol has a molecular weight of 267.39 g/mol, XLogP of 0.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 64631835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).