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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Related Compounds

CID 157304728
CID 157304728
CID 143039774
CID 143039774
CID 141953490
CID 141953490
CID 143039775
CID 143039775
CID 154186921
CID 154186921

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).