6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine

C8H11NS2 — CID 71695453

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine
SMILESNCc1cc2c(s1)CCSC2
InChIInChI=1S/C8H11NS2/c9-4-7-3-6-5-10-2-1-8(6)11-7/h3H,1-2,4-5,9H2
InChIKeyQRLUPBTZWSNDJP-UHFFFAOYSA-N
MW185.32 g/mol
LogP2.00
Rot. Bonds1

About 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine (PubChem CID 71695453) has the molecular formula C8H11NS2 and a molecular weight of 185.32 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine
PubChem CID71695453
Molecular FormulaC8H11NS2
Molecular Weight185.32 g/mol
Exact Mass185.03
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine
SMILESNCc1cc2c(s1)CCSC2
InChIInChI=1S/C8H11NS2/c9-4-7-3-6-5-10-2-1-8(6)11-7/h3H,1-2,4-5,9H2
InChIKeyQRLUPBTZWSNDJP-UHFFFAOYSA-N
XLogP2.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine (CID 71695453) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine is NCc1cc2c(s1)CCSC2.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine?
The InChIKey is QRLUPBTZWSNDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS2/c9-4-7-3-6-5-10-2-1-8(6)11-7/h3H,1-2,4-5,9H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine has a molecular weight of 185.32 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine is sourced from PubChem (CID 71695453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).