3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol

C11H25NOS — CID 106305063

IUPAC3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol
SMILESCCCN(CCC)CCSCCCO
InChIInChI=1S/C11H25NOS/c1-3-6-12(7-4-2)8-11-14-10-5-9-13/h13H,3-11H2,1-2H3
InChIKeyLBZRDTHLAYMJDG-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.22
Rot. Bonds10

About 3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol

3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol (PubChem CID 106305063) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol
PubChem CID106305063
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol
SMILESCCCN(CCC)CCSCCCO
InChIInChI=1S/C11H25NOS/c1-3-6-12(7-4-2)8-11-14-10-5-9-13/h13H,3-11H2,1-2H3
InChIKeyLBZRDTHLAYMJDG-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol (CID 106305063) is 3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol is CCCN(CCC)CCSCCCO.
What is the InChIKey of 3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol?
The InChIKey is LBZRDTHLAYMJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-3-6-12(7-4-2)8-11-14-10-5-9-13/h13H,3-11H2,1-2H3.
What are the key properties of 3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol?
3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol has a molecular weight of 219.39 g/mol, XLogP of 2.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dipropylamino)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106305063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).