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

C9H10INO3S — CID 67256429

IUPAC(2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid
SMILESCN(C(=O)O)C1OCCc2sc(I)cc21
InChIInChI=1S/C9H10INO3S/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)
InChIKeyHPGRZAIEYPTVEB-UHFFFAOYSA-N
MW339.15 g/mol
LogP2.53
Rot. Bonds1

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

(2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid (PubChem CID 67256429) has the molecular formula C9H10INO3S and a molecular weight of 339.15 g/mol. Its IUPAC name is (2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid
PubChem CID67256429
Molecular FormulaC9H10INO3S
Molecular Weight339.15 g/mol
Exact Mass338.94
IUPAC Name(2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid
SMILESCN(C(=O)O)C1OCCc2sc(I)cc21
InChIInChI=1S/C9H10INO3S/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)
InChIKeyHPGRZAIEYPTVEB-UHFFFAOYSA-N
XLogP2.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid?
The IUPAC name of (2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid (CID 67256429) is (2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid.
What is the SMILES notation for (2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid?
The canonical SMILES for (2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid is CN(C(=O)O)C1OCCc2sc(I)cc21.
What is the InChIKey of (2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid?
The InChIKey is HPGRZAIEYPTVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO3S/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-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid?
(2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid has a molecular weight of 339.15 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid is sourced from PubChem (CID 67256429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).