1-(1-propylsulfanylpropylamino)ethanol

C8H19NOS — CID 23342153

IUPAC1-(1-propylsulfanylpropylamino)ethanol
SMILESCCCSC(CC)NC(C)O
InChIInChI=1S/C8H19NOS/c1-4-6-11-8(5-2)9-7(3)10/h7-10H,4-6H2,1-3H3
InChIKeyYOJVSJPUDWHPFJ-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.79
Rot. Bonds6

About 1-(1-propylsulfanylpropylamino)ethanol

1-(1-propylsulfanylpropylamino)ethanol (PubChem CID 23342153) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 1-(1-propylsulfanylpropylamino)ethanol.

Molecular Properties

Compound Name1-(1-propylsulfanylpropylamino)ethanol
PubChem CID23342153
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name1-(1-propylsulfanylpropylamino)ethanol
SMILESCCCSC(CC)NC(C)O
InChIInChI=1S/C8H19NOS/c1-4-6-11-8(5-2)9-7(3)10/h7-10H,4-6H2,1-3H3
InChIKeyYOJVSJPUDWHPFJ-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylsulfanylpropylamino)ethanol?
The IUPAC name of 1-(1-propylsulfanylpropylamino)ethanol (CID 23342153) is 1-(1-propylsulfanylpropylamino)ethanol.
What is the SMILES notation for 1-(1-propylsulfanylpropylamino)ethanol?
The canonical SMILES for 1-(1-propylsulfanylpropylamino)ethanol is CCCSC(CC)NC(C)O.
What is the InChIKey of 1-(1-propylsulfanylpropylamino)ethanol?
The InChIKey is YOJVSJPUDWHPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-4-6-11-8(5-2)9-7(3)10/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-(1-propylsulfanylpropylamino)ethanol?
1-(1-propylsulfanylpropylamino)ethanol has a molecular weight of 177.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylsulfanylpropylamino)ethanol is sourced from PubChem (CID 23342153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).