4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol

C11H25NOS — CID 79359910

IUPAC4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol
SMILESCCN(CC)CCSCCC(C)(C)O
InChIInChI=1S/C11H25NOS/c1-5-12(6-2)8-10-14-9-7-11(3,4)13/h13H,5-10H2,1-4H3
InChIKeyBWYWPCAHVKBUBB-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.22
Rot. Bonds8

About 4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol

4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol (PubChem CID 79359910) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol
PubChem CID79359910
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol
SMILESCCN(CC)CCSCCC(C)(C)O
InChIInChI=1S/C11H25NOS/c1-5-12(6-2)8-10-14-9-7-11(3,4)13/h13H,5-10H2,1-4H3
InChIKeyBWYWPCAHVKBUBB-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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 4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-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 4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol (CID 79359910) is 4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol is CCN(CC)CCSCCC(C)(C)O.
What is the InChIKey of 4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol?
The InChIKey is BWYWPCAHVKBUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-5-12(6-2)8-10-14-9-7-11(3,4)13/h13H,5-10H2,1-4H3.
What are the key properties of 4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol?
4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol has a molecular weight of 219.39 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylsulfanyl]-2-methylbutan-2-ol is sourced from PubChem (CID 79359910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).