1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol

C10H23NO2S — CID 63966010

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol
SMILESCSCCNCC(O)COC(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-10(2,3)13-8-9(12)7-11-5-6-14-4/h9,11-12H,5-8H2,1-4H3
InChIKeyAUGPBRBRNRQCHV-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.12
Rot. Bonds7

About 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol (PubChem CID 63966010) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol
PubChem CID63966010
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol
SMILESCSCCNCC(O)COC(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-10(2,3)13-8-9(12)7-11-5-6-14-4/h9,11-12H,5-8H2,1-4H3
InChIKeyAUGPBRBRNRQCHV-UHFFFAOYSA-N
XLogP1.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol (CID 63966010) is 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol is CSCCNCC(O)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol?
The InChIKey is AUGPBRBRNRQCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-10(2,3)13-8-9(12)7-11-5-6-14-4/h9,11-12H,5-8H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol has a molecular weight of 221.37 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylsulfanylethylamino)propan-2-ol is sourced from PubChem (CID 63966010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).