[(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine

C10H15NOS — CID 97102895

IUPAC[(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine
SMILESCc1sc(C)c2c1CCO[C@H]2CN
InChIInChI=1S/C10H15NOS/c1-6-8-3-4-12-9(5-11)10(8)7(2)13-6/h9H,3-5,11H2,1-2H3/t9-/m0/s1
InChIKeyYOECCLZXTDYJSL-VIFPVBQESA-N
MW197.30 g/mol
LogP1.94
Rot. Bonds1

About [(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine

[(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine (PubChem CID 97102895) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is [(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine.

Molecular Properties

Compound Name[(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine
PubChem CID97102895
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name[(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine
SMILESCc1sc(C)c2c1CCO[C@H]2CN
InChIInChI=1S/C10H15NOS/c1-6-8-3-4-12-9(5-11)10(8)7(2)13-6/h9H,3-5,11H2,1-2H3/t9-/m0/s1
InChIKeyYOECCLZXTDYJSL-VIFPVBQESA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine?
The IUPAC name of [(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine (CID 97102895) is [(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine.
What is the SMILES notation for [(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine?
The canonical SMILES for [(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine is Cc1sc(C)c2c1CCO[C@H]2CN.
What is the InChIKey of [(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine?
The InChIKey is YOECCLZXTDYJSL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NOS/c1-6-8-3-4-12-9(5-11)10(8)7(2)13-6/h9H,3-5,11H2,1-2H3/t9-/m0/s1.
What are the key properties of [(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine?
[(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine has a molecular weight of 197.30 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine is sourced from PubChem (CID 97102895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).