3-amino-5-methylsulfanylpentan-1-ol;hydrochloride

C6H16ClNOS — CID 55255667

IUPAC3-amino-5-methylsulfanylpentan-1-ol;hydrochloride
SMILESCSCCC(N)CCO.Cl
InChIInChI=1S/C6H15NOS.ClH/c1-9-5-3-6(7)2-4-8;/h6,8H,2-5,7H2,1H3;1H
InChIKeyMDZHGJNXPSGFGY-UHFFFAOYSA-N
MW185.72 g/mol
LogP0.87
Rot. Bonds5

About 3-amino-5-methylsulfanylpentan-1-ol;hydrochloride

3-amino-5-methylsulfanylpentan-1-ol;hydrochloride (PubChem CID 55255667) has the molecular formula C6H16ClNOS and a molecular weight of 185.72 g/mol. Its IUPAC name is 3-amino-5-methylsulfanylpentan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-5-methylsulfanylpentan-1-ol;hydrochloride
PubChem CID55255667
Molecular FormulaC6H16ClNOS
Molecular Weight185.72 g/mol
Exact Mass185.06
IUPAC Name3-amino-5-methylsulfanylpentan-1-ol;hydrochloride
SMILESCSCCC(N)CCO.Cl
InChIInChI=1S/C6H15NOS.ClH/c1-9-5-3-6(7)2-4-8;/h6,8H,2-5,7H2,1H3;1H
InChIKeyMDZHGJNXPSGFGY-UHFFFAOYSA-N
XLogP0.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.72
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylsulfanylpentan-1-ol;hydrochloride?
The IUPAC name of 3-amino-5-methylsulfanylpentan-1-ol;hydrochloride (CID 55255667) is 3-amino-5-methylsulfanylpentan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-5-methylsulfanylpentan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-5-methylsulfanylpentan-1-ol;hydrochloride is CSCCC(N)CCO.Cl.
What is the InChIKey of 3-amino-5-methylsulfanylpentan-1-ol;hydrochloride?
The InChIKey is MDZHGJNXPSGFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS.ClH/c1-9-5-3-6(7)2-4-8;/h6,8H,2-5,7H2,1H3;1H.
What are the key properties of 3-amino-5-methylsulfanylpentan-1-ol;hydrochloride?
3-amino-5-methylsulfanylpentan-1-ol;hydrochloride has a molecular weight of 185.72 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylsulfanylpentan-1-ol;hydrochloride is sourced from PubChem (CID 55255667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).