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

C11H15NOS — CID 67257515

IUPAC(2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine
SMILESc1cc2c(s1)[C@@H]([C@@H]1CCCN1)OCC2
InChIInChI=1S/C11H15NOS/c1-2-9(12-5-1)10-11-8(3-6-13-10)4-7-14-11/h4,7,9-10,12H,1-3,5-6H2/t9-,10+/m0/s1
InChIKeyXXGOWWQYQBPPPW-VHSXEESVSA-N
MW209.31 g/mol
LogP2.11
Rot. Bonds1

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

(2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine (PubChem CID 67257515) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine
PubChem CID67257515
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine
SMILESc1cc2c(s1)[C@@H]([C@@H]1CCCN1)OCC2
InChIInChI=1S/C11H15NOS/c1-2-9(12-5-1)10-11-8(3-6-13-10)4-7-14-11/h4,7,9-10,12H,1-3,5-6H2/t9-,10+/m0/s1
InChIKeyXXGOWWQYQBPPPW-VHSXEESVSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine
CID 129015914
2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]pyrrolidine
CID 53238282
2-[(1R)-6-chloro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
CID 122456666
(2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
CID 122456753
(2S)-2-[(1S)-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]pyrrolidine
CID 122456694
(1R)-1-pyrrolidin-2-yl-3,4-dihydro-1H-isochromene-8-carbonitrile
CID 122456582
(1S)-1-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-1H-isochromene-8-carbonitrile
CID 122456499
(2S)-2-(9-methyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)pyrrolidine
CID 175052060
2-(3,4-dihydro-1H-isochromen-1-yl)azetidine;sulfane
CID 145138544
(7R)-4,5,6,7-tetrahydro-1-benzothiophen-7-amine
CID 92981428
(2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine
CID 129015917
(2R)-2-[(1S)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine;(2R)-2-[(1R)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine;(2S)-2-[(1S)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine;(2S)-2-[(1R)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine
CID 165068397

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine?
The IUPAC name of (2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine (CID 67257515) is (2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine?
The canonical SMILES for (2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine is c1cc2c(s1)[C@@H]([C@@H]1CCCN1)OCC2.
What is the InChIKey of (2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine?
The InChIKey is XXGOWWQYQBPPPW-VHSXEESVSA-N. The full InChI is InChI=1S/C11H15NOS/c1-2-9(12-5-1)10-11-8(3-6-13-10)4-7-14-11/h4,7,9-10,12H,1-3,5-6H2/t9-,10+/m0/s1.
What are the key properties of (2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine?
(2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine has a molecular weight of 209.31 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]pyrrolidine is sourced from PubChem (CID 67257515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).