1-(1-propylsulfanylethylamino)ethanol

C7H17NOS — CID 23342181

IUPAC1-(1-propylsulfanylethylamino)ethanol
SMILESCCCSC(C)NC(C)O
InChIInChI=1S/C7H17NOS/c1-4-5-10-7(3)8-6(2)9/h6-9H,4-5H2,1-3H3
InChIKeyGGWVWEGSVWERHY-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.40
Rot. Bonds5

About 1-(1-propylsulfanylethylamino)ethanol

1-(1-propylsulfanylethylamino)ethanol (PubChem CID 23342181) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 1-(1-propylsulfanylethylamino)ethanol.

Molecular Properties

Compound Name1-(1-propylsulfanylethylamino)ethanol
PubChem CID23342181
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name1-(1-propylsulfanylethylamino)ethanol
SMILESCCCSC(C)NC(C)O
InChIInChI=1S/C7H17NOS/c1-4-5-10-7(3)8-6(2)9/h6-9H,4-5H2,1-3H3
InChIKeyGGWVWEGSVWERHY-UHFFFAOYSA-N
XLogP1.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.40
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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Related Compounds

1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine
CID 22450282
1-(1-hydroxyethylamino)ethanol
CID 18183743
(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol
CID 93481820
1-(1-hydroxyethylamino)hexan-1-ol
CID 57293401
1-propylsulfanylbutan-1-ol
CID 150335273
1-(decan-5-ylamino)ethanol
CID 174223267
1-(pentadecan-2-ylamino)ethanol
CID 90985657
1-(1-chloroethylsulfanyl)propane
CID 13227161
1-(pentan-3-ylamino)ethanol
CID 18004281
1-(1-hydroxyethylamino)ethanol;hydrochloride
CID 57449436
1-(1-hydroxyethylamino)ethanol;hydrobromide
CID 173051488
1-(nonan-2-ylamino)ethanol;hydrochloride
CID 175146567

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylsulfanylethylamino)ethanol?
The IUPAC name of 1-(1-propylsulfanylethylamino)ethanol (CID 23342181) is 1-(1-propylsulfanylethylamino)ethanol.
What is the SMILES notation for 1-(1-propylsulfanylethylamino)ethanol?
The canonical SMILES for 1-(1-propylsulfanylethylamino)ethanol is CCCSC(C)NC(C)O.
What is the InChIKey of 1-(1-propylsulfanylethylamino)ethanol?
The InChIKey is GGWVWEGSVWERHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-4-5-10-7(3)8-6(2)9/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-(1-propylsulfanylethylamino)ethanol?
1-(1-propylsulfanylethylamino)ethanol has a molecular weight of 163.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylsulfanylethylamino)ethanol is sourced from PubChem (CID 23342181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).