N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine

C9H13NS2 — CID 154479061

IUPACN-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine
SMILESCCNC1=C2C=CSC2SCC1
InChIInChI=1S/C9H13NS2/c1-2-10-8-4-6-12-9-7(8)3-5-11-9/h3,5,9-10H,2,4,6H2,1H3
InChIKeyBOYXWWYVGFOTQW-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds2

About N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine

N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 154479061) has the molecular formula C9H13NS2 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound NameN-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine
PubChem CID154479061
Molecular FormulaC9H13NS2
Molecular Weight199.34 g/mol
Exact Mass199.05
IUPAC NameN-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine
SMILESCCNC1=C2C=CSC2SCC1
InChIInChI=1S/C9H13NS2/c1-2-10-8-4-6-12-9-7(8)3-5-11-9/h3,5,9-10H,2,4,6H2,1H3
InChIKeyBOYXWWYVGFOTQW-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine (CID 154479061) is N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine is CCNC1=C2C=CSC2SCC1.
What is the InChIKey of N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is BOYXWWYVGFOTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS2/c1-2-10-8-4-6-12-9-7(8)3-5-11-9/h3,5,9-10H,2,4,6H2,1H3.
What are the key properties of N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine?
N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 154479061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).