3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol

C11H25NO2S — CID 114370499

IUPAC3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol
SMILESCOCCCSC(CO)C(N)CC(C)C
InChIInChI=1S/C11H25NO2S/c1-9(2)7-10(12)11(8-13)15-6-4-5-14-3/h9-11,13H,4-8,12H2,1-3H3
InChIKeyQTYPSIVDENNNKE-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.49
Rot. Bonds9

About 3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol

3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol (PubChem CID 114370499) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol
PubChem CID114370499
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol
SMILESCOCCCSC(CO)C(N)CC(C)C
InChIInChI=1S/C11H25NO2S/c1-9(2)7-10(12)11(8-13)15-6-4-5-14-3/h9-11,13H,4-8,12H2,1-3H3
InChIKeyQTYPSIVDENNNKE-UHFFFAOYSA-N
XLogP1.49
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.49
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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Related Compounds

3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol
CID 64899616
3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol
CID 114369839
2-(4-methoxybutylsulfanyl)propan-1-ol
CID 115687888
methyl 3-(3-amino-1-hydroxy-4-methoxybutan-2-yl)sulfanylpropanoate
CID 114369912
3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol
CID 114358392
4,4,4-trifluoro-3-(3-methoxypropylsulfanyl)butan-2-amine
CID 63856103
3-amino-4-methoxy-2-methylsulfanylbutan-1-ol
CID 114370505
(2S)-5-methoxypentan-2-amine
CID 93315322
ethyl 3-(3-methoxypropylsulfanyl)butanoate
CID 63856812
3-amino-2-ethyl-5-methylhexan-1-ol
CID 116945255
4-amino-1-methoxy-2,6-dimethylheptan-3-ol
CID 116502132
3-amino-2-[(3,5-dimethylphenyl)methylsulfanyl]-4-methoxybutan-1-ol
CID 114370687

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol?
The IUPAC name of 3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol (CID 114370499) is 3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol.
What is the SMILES notation for 3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol?
The canonical SMILES for 3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol is COCCCSC(CO)C(N)CC(C)C.
What is the InChIKey of 3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol?
The InChIKey is QTYPSIVDENNNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-9(2)7-10(12)11(8-13)15-6-4-5-14-3/h9-11,13H,4-8,12H2,1-3H3.
What are the key properties of 3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol?
3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol has a molecular weight of 235.39 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol is sourced from PubChem (CID 114370499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).