2-(diethylaminomethylsulfanyl)ethanol

C7H17NOS — CID 11378676

IUPAC2-(diethylaminomethylsulfanyl)ethanol
SMILESCCN(CC)CSCCO
InChIInChI=1S/C7H17NOS/c1-3-8(4-2)7-10-6-5-9/h9H,3-7H2,1-2H3
InChIKeyJAPPQRWHQZLJHJ-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.01
Rot. Bonds6

About 2-(diethylaminomethylsulfanyl)ethanol

2-(diethylaminomethylsulfanyl)ethanol (PubChem CID 11378676) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-(diethylaminomethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(diethylaminomethylsulfanyl)ethanol
PubChem CID11378676
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2-(diethylaminomethylsulfanyl)ethanol
SMILESCCN(CC)CSCCO
InChIInChI=1S/C7H17NOS/c1-3-8(4-2)7-10-6-5-9/h9H,3-7H2,1-2H3
InChIKeyJAPPQRWHQZLJHJ-UHFFFAOYSA-N
XLogP1.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethylsulfanyl)ethanol?
The IUPAC name of 2-(diethylaminomethylsulfanyl)ethanol (CID 11378676) is 2-(diethylaminomethylsulfanyl)ethanol.
What is the SMILES notation for 2-(diethylaminomethylsulfanyl)ethanol?
The canonical SMILES for 2-(diethylaminomethylsulfanyl)ethanol is CCN(CC)CSCCO.
What is the InChIKey of 2-(diethylaminomethylsulfanyl)ethanol?
The InChIKey is JAPPQRWHQZLJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-3-8(4-2)7-10-6-5-9/h9H,3-7H2,1-2H3.
What are the key properties of 2-(diethylaminomethylsulfanyl)ethanol?
2-(diethylaminomethylsulfanyl)ethanol has a molecular weight of 163.29 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethylsulfanyl)ethanol is sourced from PubChem (CID 11378676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).