3-amino-5-methylsulfanylpentan-1-ol

C6H15NOS — CID 55255668

IUPAC3-amino-5-methylsulfanylpentan-1-ol
SMILESCSCCC(N)CCO
InChIInChI=1S/C6H15NOS/c1-9-5-3-6(7)2-4-8/h6,8H,2-5,7H2,1H3
InChIKeyAFTVPMMRLJNNNT-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.45
Rot. Bonds5

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

3-amino-5-methylsulfanylpentan-1-ol (PubChem CID 55255668) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 3-amino-5-methylsulfanylpentan-1-ol.

Molecular Properties

Compound Name3-amino-5-methylsulfanylpentan-1-ol
PubChem CID55255668
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name3-amino-5-methylsulfanylpentan-1-ol
SMILESCSCCC(N)CCO
InChIInChI=1S/C6H15NOS/c1-9-5-3-6(7)2-4-8/h6,8H,2-5,7H2,1H3
InChIKeyAFTVPMMRLJNNNT-UHFFFAOYSA-N
XLogP0.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.45
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?
The IUPAC name of 3-amino-5-methylsulfanylpentan-1-ol (CID 55255668) is 3-amino-5-methylsulfanylpentan-1-ol.
What is the SMILES notation for 3-amino-5-methylsulfanylpentan-1-ol?
The canonical SMILES for 3-amino-5-methylsulfanylpentan-1-ol is CSCCC(N)CCO.
What is the InChIKey of 3-amino-5-methylsulfanylpentan-1-ol?
The InChIKey is AFTVPMMRLJNNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-9-5-3-6(7)2-4-8/h6,8H,2-5,7H2,1H3.
What are the key properties of 3-amino-5-methylsulfanylpentan-1-ol?
3-amino-5-methylsulfanylpentan-1-ol has a molecular weight of 149.26 g/mol, XLogP of 0.45, 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 is sourced from PubChem (CID 55255668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).