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

C9H10BrNO3S — CID 70813489

IUPAC(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid
SMILESCN(C(=O)O)C1OCCc2sc(Br)cc21
InChIInChI=1S/C9H10BrNO3S/c1-11(9(12)13)8-5-4-7(10)15-6(5)2-3-14-8/h4,8H,2-3H2,1H3,(H,12,13)
InChIKeyGAAJDASQDILENN-UHFFFAOYSA-N
MW292.15 g/mol
LogP2.69
Rot. Bonds1

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

(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid (PubChem CID 70813489) has the molecular formula C9H10BrNO3S and a molecular weight of 292.15 g/mol. Its IUPAC name is (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid
PubChem CID70813489
Molecular FormulaC9H10BrNO3S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Name(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid
SMILESCN(C(=O)O)C1OCCc2sc(Br)cc21
InChIInChI=1S/C9H10BrNO3S/c1-11(9(12)13)8-5-4-7(10)15-6(5)2-3-14-8/h4,8H,2-3H2,1H3,(H,12,13)
InChIKeyGAAJDASQDILENN-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.69
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)-methylcarbamic acid?
The IUPAC name of (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid (CID 70813489) is (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid.
What is the SMILES notation for (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid?
The canonical SMILES for (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid is CN(C(=O)O)C1OCCc2sc(Br)cc21.
What is the InChIKey of (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid?
The InChIKey is GAAJDASQDILENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3S/c1-11(9(12)13)8-5-4-7(10)15-6(5)2-3-14-8/h4,8H,2-3H2,1H3,(H,12,13).
What are the key properties of (2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid?
(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid has a molecular weight of 292.15 g/mol, XLogP of 2.69, 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)-methylcarbamic acid is sourced from PubChem (CID 70813489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).