2-(4-aminopentylsulfanyl)ethanol

C7H17NOS — CID 64613567

IUPAC2-(4-aminopentylsulfanyl)ethanol
SMILESCC(N)CCCSCCO
InChIInChI=1S/C7H17NOS/c1-7(8)3-2-5-10-6-4-9/h7,9H,2-6,8H2,1H3
InChIKeyJBBQNTWGWJJPKH-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.84
Rot. Bonds6

About 2-(4-aminopentylsulfanyl)ethanol

2-(4-aminopentylsulfanyl)ethanol (PubChem CID 64613567) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-(4-aminopentylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(4-aminopentylsulfanyl)ethanol
PubChem CID64613567
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2-(4-aminopentylsulfanyl)ethanol
SMILESCC(N)CCCSCCO
InChIInChI=1S/C7H17NOS/c1-7(8)3-2-5-10-6-4-9/h7,9H,2-6,8H2,1H3
InChIKeyJBBQNTWGWJJPKH-UHFFFAOYSA-N
XLogP0.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.84
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 2-(4-aminopentylsulfanyl)ethanol?
The IUPAC name of 2-(4-aminopentylsulfanyl)ethanol (CID 64613567) is 2-(4-aminopentylsulfanyl)ethanol.
What is the SMILES notation for 2-(4-aminopentylsulfanyl)ethanol?
The canonical SMILES for 2-(4-aminopentylsulfanyl)ethanol is CC(N)CCCSCCO.
What is the InChIKey of 2-(4-aminopentylsulfanyl)ethanol?
The InChIKey is JBBQNTWGWJJPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-7(8)3-2-5-10-6-4-9/h7,9H,2-6,8H2,1H3.
What are the key properties of 2-(4-aminopentylsulfanyl)ethanol?
2-(4-aminopentylsulfanyl)ethanol has a molecular weight of 163.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopentylsulfanyl)ethanol is sourced from PubChem (CID 64613567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).