2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol

C11H25NO2S — CID 64806123

IUPAC2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol
SMILESCOCCCSCCCCC(C)(N)CO
InChIInChI=1S/C11H25NO2S/c1-11(12,10-13)6-3-4-8-15-9-5-7-14-2/h13H,3-10,12H2,1-2H3
InChIKeyHBTQWFVQSNSFGM-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.64
Rot. Bonds10

About 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol

2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol (PubChem CID 64806123) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol
PubChem CID64806123
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol
SMILESCOCCCSCCCCC(C)(N)CO
InChIInChI=1S/C11H25NO2S/c1-11(12,10-13)6-3-4-8-15-9-5-7-14-2/h13H,3-10,12H2,1-2H3
InChIKeyHBTQWFVQSNSFGM-UHFFFAOYSA-N
XLogP1.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol (CID 64806123) is 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol is COCCCSCCCCC(C)(N)CO.
What is the InChIKey of 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol?
The InChIKey is HBTQWFVQSNSFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-11(12,10-13)6-3-4-8-15-9-5-7-14-2/h13H,3-10,12H2,1-2H3.
What are the key properties of 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol?
2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol has a molecular weight of 235.39 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexan-1-ol is sourced from PubChem (CID 64806123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).