2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol

C9H13NO2S — CID 84775410

IUPAC2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol
SMILESNC(CO)c1cc2c(s1)CCOC2
InChIInChI=1S/C9H13NO2S/c10-7(4-11)9-3-6-5-12-2-1-8(6)13-9/h3,7,11H,1-2,4-5,10H2
InChIKeyGIADOZIGKFYTHL-UHFFFAOYSA-N
MW199.27 g/mol
LogP0.81
Rot. Bonds2

About 2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol

2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol (PubChem CID 84775410) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol
PubChem CID84775410
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol
SMILESNC(CO)c1cc2c(s1)CCOC2
InChIInChI=1S/C9H13NO2S/c10-7(4-11)9-3-6-5-12-2-1-8(6)13-9/h3,7,11H,1-2,4-5,10H2
InChIKeyGIADOZIGKFYTHL-UHFFFAOYSA-N
XLogP0.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol?
The IUPAC name of 2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol (CID 84775410) is 2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol is NC(CO)c1cc2c(s1)CCOC2.
What is the InChIKey of 2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol?
The InChIKey is GIADOZIGKFYTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c10-7(4-11)9-3-6-5-12-2-1-8(6)13-9/h3,7,11H,1-2,4-5,10H2.
What are the key properties of 2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol?
2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol has a molecular weight of 199.27 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol is sourced from PubChem (CID 84775410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).