1-(2-ethyl-5-methylsulfanylpentyl)azonane

C16H33NS — CID 134341886

IUPAC1-(2-ethyl-5-methylsulfanylpentyl)azonane
SMILESCCC(CCCSC)CN1CCCCCCCC1
InChIInChI=1S/C16H33NS/c1-3-16(11-10-14-18-2)15-17-12-8-6-4-5-7-9-13-17/h16H,3-15H2,1-2H3
InChIKeySJPIVLZALFTFFC-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.81
Rot. Bonds7

About 1-(2-ethyl-5-methylsulfanylpentyl)azonane

1-(2-ethyl-5-methylsulfanylpentyl)azonane (PubChem CID 134341886) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylsulfanylpentyl)azonane.

Molecular Properties

Compound Name1-(2-ethyl-5-methylsulfanylpentyl)azonane
PubChem CID134341886
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC Name1-(2-ethyl-5-methylsulfanylpentyl)azonane
SMILESCCC(CCCSC)CN1CCCCCCCC1
InChIInChI=1S/C16H33NS/c1-3-16(11-10-14-18-2)15-17-12-8-6-4-5-7-9-13-17/h16H,3-15H2,1-2H3
InChIKeySJPIVLZALFTFFC-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2-ethyl-5-methylsulfanylpentyl)azonane?
The IUPAC name of 1-(2-ethyl-5-methylsulfanylpentyl)azonane (CID 134341886) is 1-(2-ethyl-5-methylsulfanylpentyl)azonane.
What is the SMILES notation for 1-(2-ethyl-5-methylsulfanylpentyl)azonane?
The canonical SMILES for 1-(2-ethyl-5-methylsulfanylpentyl)azonane is CCC(CCCSC)CN1CCCCCCCC1.
What is the InChIKey of 1-(2-ethyl-5-methylsulfanylpentyl)azonane?
The InChIKey is SJPIVLZALFTFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-3-16(11-10-14-18-2)15-17-12-8-6-4-5-7-9-13-17/h16H,3-15H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-methylsulfanylpentyl)azonane?
1-(2-ethyl-5-methylsulfanylpentyl)azonane has a molecular weight of 271.51 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylsulfanylpentyl)azonane is sourced from PubChem (CID 134341886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).