2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol

C12H19NO2S — CID 61020491

IUPAC2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol
SMILESOC(CNCC1CCCOC1)c1cccs1
InChIInChI=1S/C12H19NO2S/c14-11(12-4-2-6-16-12)8-13-7-10-3-1-5-15-9-10/h2,4,6,10-11,13-14H,1,3,5,7-9H2
InChIKeyWULVUKNIVXHEQR-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.80
Rot. Bonds5

About 2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol

2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol (PubChem CID 61020491) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol
PubChem CID61020491
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol
SMILESOC(CNCC1CCCOC1)c1cccs1
InChIInChI=1S/C12H19NO2S/c14-11(12-4-2-6-16-12)8-13-7-10-3-1-5-15-9-10/h2,4,6,10-11,13-14H,1,3,5,7-9H2
InChIKeyWULVUKNIVXHEQR-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol (CID 61020491) is 2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol is OC(CNCC1CCCOC1)c1cccs1.
What is the InChIKey of 2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol?
The InChIKey is WULVUKNIVXHEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c14-11(12-4-2-6-16-12)8-13-7-10-3-1-5-15-9-10/h2,4,6,10-11,13-14H,1,3,5,7-9H2.
What are the key properties of 2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol?
2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol has a molecular weight of 241.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 61020491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).