2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol

C9H13NO3S2 — CID 84803360

IUPAC2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
SMILESNC(CO)c1cc2c(s1)CCS(=O)(=O)C2
InChIInChI=1S/C9H13NO3S2/c10-7(4-11)9-3-6-5-15(12,13)2-1-8(6)14-9/h3,7,11H,1-2,4-5,10H2
InChIKeyAFYRKSDJFHOAKY-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.21
Rot. Bonds2

About 2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol

2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol (PubChem CID 84803360) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
PubChem CID84803360
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC Name2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
SMILESNC(CO)c1cc2c(s1)CCS(=O)(=O)C2
InChIInChI=1S/C9H13NO3S2/c10-7(4-11)9-3-6-5-15(12,13)2-1-8(6)14-9/h3,7,11H,1-2,4-5,10H2
InChIKeyAFYRKSDJFHOAKY-UHFFFAOYSA-N
XLogP0.21
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol with MolForge

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Related Compounds

(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862
2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol
CID 84775410
2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 84802884
[1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine
CID 84805620
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-en-1-amine
CID 105003788
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylidenepentan-1-amine
CID 105005769
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine
CID 104987233
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine
CID 104986647
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine
CID 105033706
2-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104986291
1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid
CID 84813843
2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 61078811

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
The IUPAC name of 2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol (CID 84803360) is 2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol is NC(CO)c1cc2c(s1)CCS(=O)(=O)C2.
What is the InChIKey of 2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
The InChIKey is AFYRKSDJFHOAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c10-7(4-11)9-3-6-5-15(12,13)2-1-8(6)14-9/h3,7,11H,1-2,4-5,10H2.
What are the key properties of 2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol has a molecular weight of 247.34 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol is sourced from PubChem (CID 84803360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).