2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol

C12H21NOS — CID 79053239

IUPAC2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol
SMILESCCN(CC)C(C)(C)C(O)c1ccsc1
InChIInChI=1S/C12H21NOS/c1-5-13(6-2)12(3,4)11(14)10-7-8-15-9-10/h7-9,11,14H,5-6H2,1-4H3
InChIKeyNOYOJWBYCMLGGR-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.90
Rot. Bonds5

About 2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol

2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol (PubChem CID 79053239) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol
PubChem CID79053239
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol
SMILESCCN(CC)C(C)(C)C(O)c1ccsc1
InChIInChI=1S/C12H21NOS/c1-5-13(6-2)12(3,4)11(14)10-7-8-15-9-10/h7-9,11,14H,5-6H2,1-4H3
InChIKeyNOYOJWBYCMLGGR-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of 2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol (CID 79053239) is 2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol is CCN(CC)C(C)(C)C(O)c1ccsc1.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol?
The InChIKey is NOYOJWBYCMLGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-5-13(6-2)12(3,4)11(14)10-7-8-15-9-10/h7-9,11,14H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol?
2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 79053239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).