(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine

C8H10BrNOS — CID 67257030

IUPAC(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
SMILESNCC1OCCc2sc(Br)cc21
InChIInChI=1S/C8H10BrNOS/c9-8-3-5-6(4-10)11-2-1-7(5)12-8/h3,6H,1-2,4,10H2
InChIKeySSCWSCUCEZCNJT-UHFFFAOYSA-N
MW248.14 g/mol
LogP2.08
Rot. Bonds1

About (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine

(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine (PubChem CID 67257030) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
PubChem CID67257030
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
SMILESNCC1OCCc2sc(Br)cc21
InChIInChI=1S/C8H10BrNOS/c9-8-3-5-6(4-10)11-2-1-7(5)12-8/h3,6H,1-2,4,10H2
InChIKeySSCWSCUCEZCNJT-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine?
The IUPAC name of (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine (CID 67257030) is (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine.
What is the SMILES notation for (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine?
The canonical SMILES for (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine is NCC1OCCc2sc(Br)cc21.
What is the InChIKey of (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine?
The InChIKey is SSCWSCUCEZCNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c9-8-3-5-6(4-10)11-2-1-7(5)12-8/h3,6H,1-2,4,10H2.
What are the key properties of (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine?
(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine has a molecular weight of 248.14 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine is sourced from PubChem (CID 67257030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).