ethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate

C10H13NO2S2 — CID 21268845

IUPACethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate
SMILESCCOC(=O)NC1CSc2sccc2C1
InChIInChI=1S/C10H13NO2S2/c1-2-13-10(12)11-8-5-7-3-4-14-9(7)15-6-8/h3-4,8H,2,5-6H2,1H3,(H,11,12)
InChIKeyOUUJDVCXKDYJTG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.51
Rot. Bonds2

About ethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate

ethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate (PubChem CID 21268845) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate
PubChem CID21268845
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC Nameethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate
SMILESCCOC(=O)NC1CSc2sccc2C1
InChIInChI=1S/C10H13NO2S2/c1-2-13-10(12)11-8-5-7-3-4-14-9(7)15-6-8/h3-4,8H,2,5-6H2,1H3,(H,11,12)
InChIKeyOUUJDVCXKDYJTG-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate?
The IUPAC name of ethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate (CID 21268845) is ethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate.
What is the SMILES notation for ethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate?
The canonical SMILES for ethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate is CCOC(=O)NC1CSc2sccc2C1.
What is the InChIKey of ethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate?
The InChIKey is OUUJDVCXKDYJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c1-2-13-10(12)11-8-5-7-3-4-14-9(7)15-6-8/h3-4,8H,2,5-6H2,1H3,(H,11,12).
What are the key properties of ethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate?
ethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate is sourced from PubChem (CID 21268845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).