2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol

C14H25NOS — CID 79060930

IUPAC2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol
SMILESCCN(CC)C(CC)(CC)C(O)c1ccsc1
InChIInChI=1S/C14H25NOS/c1-5-14(6-2,15(7-3)8-4)13(16)12-9-10-17-11-12/h9-11,13,16H,5-8H2,1-4H3
InChIKeyJDSBQAPCPMQVRO-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.68
Rot. Bonds7

About 2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol

2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol (PubChem CID 79060930) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol
PubChem CID79060930
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol
SMILESCCN(CC)C(CC)(CC)C(O)c1ccsc1
InChIInChI=1S/C14H25NOS/c1-5-14(6-2,15(7-3)8-4)13(16)12-9-10-17-11-12/h9-11,13,16H,5-8H2,1-4H3
InChIKeyJDSBQAPCPMQVRO-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol?
The IUPAC name of 2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol (CID 79060930) is 2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol.
What is the SMILES notation for 2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol?
The canonical SMILES for 2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol is CCN(CC)C(CC)(CC)C(O)c1ccsc1.
What is the InChIKey of 2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol?
The InChIKey is JDSBQAPCPMQVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-5-14(6-2,15(7-3)8-4)13(16)12-9-10-17-11-12/h9-11,13,16H,5-8H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol?
2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol has a molecular weight of 255.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-ethyl-1-thiophen-3-ylbutan-1-ol is sourced from PubChem (CID 79060930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).