1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol

C7H17NO2S — CID 64812376

IUPAC1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol
SMILESCOCCSCC(C)(O)CN
InChIInChI=1S/C7H17NO2S/c1-7(9,5-8)6-11-4-3-10-2/h9H,3-6,8H2,1-2H3
InChIKeyGSAJDRFDAOKZPM-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.08
Rot. Bonds6

About 1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol

1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol (PubChem CID 64812376) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol
PubChem CID64812376
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol
SMILESCOCCSCC(C)(O)CN
InChIInChI=1S/C7H17NO2S/c1-7(9,5-8)6-11-4-3-10-2/h9H,3-6,8H2,1-2H3
InChIKeyGSAJDRFDAOKZPM-UHFFFAOYSA-N
XLogP0.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.08
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-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol (CID 64812376) is 1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol is COCCSCC(C)(O)CN.
What is the InChIKey of 1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol?
The InChIKey is GSAJDRFDAOKZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-7(9,5-8)6-11-4-3-10-2/h9H,3-6,8H2,1-2H3.
What are the key properties of 1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol?
1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol has a molecular weight of 179.28 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol is sourced from PubChem (CID 64812376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).