(2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol

C17H23NO3S — CID 100841540

IUPAC(2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCC[C@@H]1c2ccsc2CCN1C[C@@H](O)COCc1ccco1
InChIInChI=1S/C17H23NO3S/c1-2-16-15-6-9-22-17(15)5-7-18(16)10-13(19)11-20-12-14-4-3-8-21-14/h3-4,6,8-9,13,16,19H,2,5,7,10-12H2,1H3/t13-,16-/m1/s1
InChIKeyLEUHXAYTWNNPRS-CZUORRHYSA-N
MW321.44 g/mol
LogP3.23
Rot. Bonds7

About (2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol

(2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 100841540) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is (2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID100841540
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name(2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCC[C@@H]1c2ccsc2CCN1C[C@@H](O)COCc1ccco1
InChIInChI=1S/C17H23NO3S/c1-2-16-15-6-9-22-17(15)5-7-18(16)10-13(19)11-20-12-14-4-3-8-21-14/h3-4,6,8-9,13,16,19H,2,5,7,10-12H2,1H3/t13-,16-/m1/s1
InChIKeyLEUHXAYTWNNPRS-CZUORRHYSA-N
XLogP3.23
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(furan-2-ylmethoxy)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 111116661
(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
ethyl 4-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropoxy]benzoate
CID 42923896
1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol
CID 42919233
1-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-propan-2-ylamino]ethanone
CID 93220841
1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95316604
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-2-ol
CID 110932538
(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95343819
1-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-prop-2-enylamino]ethanone
CID 93220913
(2S)-1-(furan-2-ylmethoxy)-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124778946
1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 111434957

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol (CID 100841540) is (2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol is CC[C@@H]1c2ccsc2CCN1C[C@@H](O)COCc1ccco1.
What is the InChIKey of (2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is LEUHXAYTWNNPRS-CZUORRHYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-2-16-15-6-9-22-17(15)5-7-18(16)10-13(19)11-20-12-14-4-3-8-21-14/h3-4,6,8-9,13,16,19H,2,5,7,10-12H2,1H3/t13-,16-/m1/s1.
What are the key properties of (2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol?
(2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 321.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 100841540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).