1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine

C12H17NOS — CID 166632665

IUPAC1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine
SMILESc1cc2c(s1)[C@H](CN1CCCC1)OCC2
InChIInChI=1S/C12H17NOS/c1-2-6-13(5-1)9-11-12-10(3-7-14-11)4-8-15-12/h4,8,11H,1-3,5-7,9H2/t11-/m0/s1
InChIKeyFWJXTGZOPGGPFU-NSHDSACASA-N
MW223.34 g/mol
LogP2.46
Rot. Bonds2

About 1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine

1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine (PubChem CID 166632665) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine
PubChem CID166632665
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine
SMILESc1cc2c(s1)[C@H](CN1CCCC1)OCC2
InChIInChI=1S/C12H17NOS/c1-2-6-13(5-1)9-11-12-10(3-7-14-11)4-8-15-12/h4,8,11H,1-3,5-7,9H2/t11-/m0/s1
InChIKeyFWJXTGZOPGGPFU-NSHDSACASA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine?
The IUPAC name of 1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine (CID 166632665) is 1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine?
The canonical SMILES for 1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine is c1cc2c(s1)[C@H](CN1CCCC1)OCC2.
What is the InChIKey of 1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine?
The InChIKey is FWJXTGZOPGGPFU-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-6-13(5-1)9-11-12-10(3-7-14-11)4-8-15-12/h4,8,11H,1-3,5-7,9H2/t11-/m0/s1.
What are the key properties of 1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine?
1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine has a molecular weight of 223.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methyl]pyrrolidine is sourced from PubChem (CID 166632665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).