2-[2-(ethylamino)pentylsulfanyl]ethanol

C9H21NOS — CID 64613356

IUPAC2-[2-(ethylamino)pentylsulfanyl]ethanol
SMILESCCCC(CSCCO)NCC
InChIInChI=1S/C9H21NOS/c1-3-5-9(10-4-2)8-12-7-6-11/h9-11H,3-8H2,1-2H3
InChIKeyIJMBEYCBHFXGMQ-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.49
Rot. Bonds8

About 2-[2-(ethylamino)pentylsulfanyl]ethanol

2-[2-(ethylamino)pentylsulfanyl]ethanol (PubChem CID 64613356) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 2-[2-(ethylamino)pentylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(ethylamino)pentylsulfanyl]ethanol
PubChem CID64613356
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name2-[2-(ethylamino)pentylsulfanyl]ethanol
SMILESCCCC(CSCCO)NCC
InChIInChI=1S/C9H21NOS/c1-3-5-9(10-4-2)8-12-7-6-11/h9-11H,3-8H2,1-2H3
InChIKeyIJMBEYCBHFXGMQ-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.49
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-[2-(ethylamino)pentylsulfanyl]ethanol?
The IUPAC name of 2-[2-(ethylamino)pentylsulfanyl]ethanol (CID 64613356) is 2-[2-(ethylamino)pentylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(ethylamino)pentylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(ethylamino)pentylsulfanyl]ethanol is CCCC(CSCCO)NCC.
What is the InChIKey of 2-[2-(ethylamino)pentylsulfanyl]ethanol?
The InChIKey is IJMBEYCBHFXGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-3-5-9(10-4-2)8-12-7-6-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-[2-(ethylamino)pentylsulfanyl]ethanol?
2-[2-(ethylamino)pentylsulfanyl]ethanol has a molecular weight of 191.34 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)pentylsulfanyl]ethanol is sourced from PubChem (CID 64613356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).