[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone

C19H27NO5S — CID 6668764

IUPAC[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESCCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2ccsc2)[C@@H]1CCCO
InChIInChI=1S/C19H27NO5S/c1-2-24-19-15(4-3-8-21)16(14-5-11-26-13-14)12-17(25-19)18(22)20-6-9-23-10-7-20/h5,11-13,15-16,19,21H,2-4,6-10H2,1H3/t15-,16-,19-/m0/s1
InChIKeyDLGDASDSZUSWLV-BXWFABGCSA-N
MW381.49 g/mol
LogP2.36
Rot. Bonds7

About [(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone

[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (PubChem CID 6668764) has the molecular formula C19H27NO5S and a molecular weight of 381.49 g/mol. Its IUPAC name is [(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
PubChem CID6668764
Molecular FormulaC19H27NO5S
Molecular Weight381.49 g/mol
Exact Mass381.16
IUPAC Name[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESCCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2ccsc2)[C@@H]1CCCO
InChIInChI=1S/C19H27NO5S/c1-2-24-19-15(4-3-8-21)16(14-5-11-26-13-14)12-17(25-19)18(22)20-6-9-23-10-7-20/h5,11-13,15-16,19,21H,2-4,6-10H2,1H3/t15-,16-,19-/m0/s1
InChIKeyDLGDASDSZUSWLV-BXWFABGCSA-N
XLogP2.36
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (CID 6668764) is [(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2ccsc2)[C@@H]1CCCO.
What is the InChIKey of [(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The InChIKey is DLGDASDSZUSWLV-BXWFABGCSA-N. The full InChI is InChI=1S/C19H27NO5S/c1-2-24-19-15(4-3-8-21)16(14-5-11-26-13-14)12-17(25-19)18(22)20-6-9-23-10-7-20/h5,11-13,15-16,19,21H,2-4,6-10H2,1H3/t15-,16-,19-/m0/s1.
What are the key properties of [(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone has a molecular weight of 381.49 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6668764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).