2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol

C12H17NO2S — CID 107095013

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol
SMILESOC(CNCC1CCC=CO1)c1ccsc1
InChIInChI=1S/C12H17NO2S/c14-12(10-4-6-16-9-10)8-13-7-11-3-1-2-5-15-11/h2,4-6,9,11-14H,1,3,7-8H2
InChIKeyKNPXNSRDLDWSCU-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.06
Rot. Bonds5

About 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol (PubChem CID 107095013) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol
PubChem CID107095013
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol
SMILESOC(CNCC1CCC=CO1)c1ccsc1
InChIInChI=1S/C12H17NO2S/c14-12(10-4-6-16-9-10)8-13-7-11-3-1-2-5-15-11/h2,4-6,9,11-14H,1,3,7-8H2
InChIKeyKNPXNSRDLDWSCU-UHFFFAOYSA-N
XLogP2.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol (CID 107095013) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol is OC(CNCC1CCC=CO1)c1ccsc1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol?
The InChIKey is KNPXNSRDLDWSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-12(10-4-6-16-9-10)8-13-7-11-3-1-2-5-15-11/h2,4-6,9,11-14H,1,3,7-8H2.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol has a molecular weight of 239.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol is sourced from PubChem (CID 107095013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).