5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol

C10H23NO2S — CID 106247167

IUPAC5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol
SMILESCSCC(C)(O)CNCCCCCO
InChIInChI=1S/C10H23NO2S/c1-10(13,9-14-2)8-11-6-4-3-5-7-12/h11-13H,3-9H2,1-2H3
InChIKeyFLWLYKBDXHVTKP-UHFFFAOYSA-N
MW221.37 g/mol
LogP0.85
Rot. Bonds9

About 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol

5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol (PubChem CID 106247167) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol
PubChem CID106247167
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol
SMILESCSCC(C)(O)CNCCCCCO
InChIInChI=1S/C10H23NO2S/c1-10(13,9-14-2)8-11-6-4-3-5-7-12/h11-13H,3-9H2,1-2H3
InChIKeyFLWLYKBDXHVTKP-UHFFFAOYSA-N
XLogP0.85
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 50.85
H-Bond Donors ≤ 53
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 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol?
The IUPAC name of 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol (CID 106247167) is 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol?
The canonical SMILES for 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol is CSCC(C)(O)CNCCCCCO.
What is the InChIKey of 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol?
The InChIKey is FLWLYKBDXHVTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-10(13,9-14-2)8-11-6-4-3-5-7-12/h11-13H,3-9H2,1-2H3.
What are the key properties of 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol?
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol has a molecular weight of 221.37 g/mol, XLogP of 0.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol is sourced from PubChem (CID 106247167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).