9-(2-aminoethylsulfanyl)nonan-1-ol

C11H25NOS — CID 178199970

IUPAC9-(2-aminoethylsulfanyl)nonan-1-ol
SMILESNCCSCCCCCCCCCO
InChIInChI=1S/C11H25NOS/c12-8-11-14-10-7-5-3-1-2-4-6-9-13/h13H,1-12H2
InChIKeyCFIBIPCIOLMZRF-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.40
Rot. Bonds11

About 9-(2-aminoethylsulfanyl)nonan-1-ol

9-(2-aminoethylsulfanyl)nonan-1-ol (PubChem CID 178199970) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 9-(2-aminoethylsulfanyl)nonan-1-ol.

Molecular Properties

Compound Name9-(2-aminoethylsulfanyl)nonan-1-ol
PubChem CID178199970
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name9-(2-aminoethylsulfanyl)nonan-1-ol
SMILESNCCSCCCCCCCCCO
InChIInChI=1S/C11H25NOS/c12-8-11-14-10-7-5-3-1-2-4-6-9-13/h13H,1-12H2
InChIKeyCFIBIPCIOLMZRF-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 9-(2-aminoethylsulfanyl)nonan-1-ol?
The IUPAC name of 9-(2-aminoethylsulfanyl)nonan-1-ol (CID 178199970) is 9-(2-aminoethylsulfanyl)nonan-1-ol.
What is the SMILES notation for 9-(2-aminoethylsulfanyl)nonan-1-ol?
The canonical SMILES for 9-(2-aminoethylsulfanyl)nonan-1-ol is NCCSCCCCCCCCCO.
What is the InChIKey of 9-(2-aminoethylsulfanyl)nonan-1-ol?
The InChIKey is CFIBIPCIOLMZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c12-8-11-14-10-7-5-3-1-2-4-6-9-13/h13H,1-12H2.
What are the key properties of 9-(2-aminoethylsulfanyl)nonan-1-ol?
9-(2-aminoethylsulfanyl)nonan-1-ol has a molecular weight of 219.39 g/mol, XLogP of 2.40, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminoethylsulfanyl)nonan-1-ol is sourced from PubChem (CID 178199970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).