4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol

C10H23NO2S — CID 155740206

IUPAC4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol
SMILESCCNCCOCCOCCC(C)S
InChIInChI=1S/C10H23NO2S/c1-3-11-5-7-13-9-8-12-6-4-10(2)14/h10-11,14H,3-9H2,1-2H3
InChIKeyZYINLVRVIBVJMN-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.34
Rot. Bonds10

About 4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol

4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol (PubChem CID 155740206) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol.

Molecular Properties

Compound Name4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol
PubChem CID155740206
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol
SMILESCCNCCOCCOCCC(C)S
InChIInChI=1S/C10H23NO2S/c1-3-11-5-7-13-9-8-12-6-4-10(2)14/h10-11,14H,3-9H2,1-2H3
InChIKeyZYINLVRVIBVJMN-UHFFFAOYSA-N
XLogP1.34
TPSA30.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
4-(3-sulfanylbutoxy)butane-2-thiol
CID 87208287
N-ethyl-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138726958
N-ethyl-2-(2-fluoroethoxy)ethanamine
CID 80696414
4-hexoxybutane-2-thiol
CID 21429504
(2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol
CID 167242879
N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178164668
2-ethoxy-N-ethylethanamine;hydrochloride
CID 86621180
2-(2,2-dimethylpropoxy)-N-ethylethanamine
CID 126704889
N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine
CID 143968135
N-[2-[2-(ethylamino)ethoxy]ethyl]-2-methylpropanamide;molecular hydrogen
CID 172574109

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol?
The IUPAC name of 4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol (CID 155740206) is 4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol.
What is the SMILES notation for 4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol?
The canonical SMILES for 4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol is CCNCCOCCOCCC(C)S.
What is the InChIKey of 4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol?
The InChIKey is ZYINLVRVIBVJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-3-11-5-7-13-9-8-12-6-4-10(2)14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol?
4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol has a molecular weight of 221.37 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol is sourced from PubChem (CID 155740206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).