2-(3-propylsulfanylpropylamino)ethanol

C8H19NOS — CID 54036239

IUPAC2-(3-propylsulfanylpropylamino)ethanol
SMILESCCCSCCCNCCO
InChIInChI=1S/C8H19NOS/c1-2-7-11-8-3-4-9-5-6-10/h9-10H,2-8H2,1H3
InChIKeyLJDOMMDVRFIXNS-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.10
Rot. Bonds8

About 2-(3-propylsulfanylpropylamino)ethanol

2-(3-propylsulfanylpropylamino)ethanol (PubChem CID 54036239) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 2-(3-propylsulfanylpropylamino)ethanol.

Molecular Properties

Compound Name2-(3-propylsulfanylpropylamino)ethanol
PubChem CID54036239
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name2-(3-propylsulfanylpropylamino)ethanol
SMILESCCCSCCCNCCO
InChIInChI=1S/C8H19NOS/c1-2-7-11-8-3-4-9-5-6-10/h9-10H,2-8H2,1H3
InChIKeyLJDOMMDVRFIXNS-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.10
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-(3-propylsulfanylpropylamino)ethanol?
The IUPAC name of 2-(3-propylsulfanylpropylamino)ethanol (CID 54036239) is 2-(3-propylsulfanylpropylamino)ethanol.
What is the SMILES notation for 2-(3-propylsulfanylpropylamino)ethanol?
The canonical SMILES for 2-(3-propylsulfanylpropylamino)ethanol is CCCSCCCNCCO.
What is the InChIKey of 2-(3-propylsulfanylpropylamino)ethanol?
The InChIKey is LJDOMMDVRFIXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-2-7-11-8-3-4-9-5-6-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-(3-propylsulfanylpropylamino)ethanol?
2-(3-propylsulfanylpropylamino)ethanol has a molecular weight of 177.31 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylsulfanylpropylamino)ethanol is sourced from PubChem (CID 54036239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).