(6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone

C16H17N3O5S — CID 66581044

IUPAC(6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCOc1cccc2c1S(=O)(=O)Cc1c-2n[nH]c1C(=O)N1CCOCC1
InChIInChI=1S/C16H17N3O5S/c1-23-12-4-2-3-10-13-11(9-25(21,22)15(10)12)14(18-17-13)16(20)19-5-7-24-8-6-19/h2-4H,5-9H2,1H3,(H,17,18)
InChIKeyLDZNTWDRENOHJP-UHFFFAOYSA-N
MW363.40 g/mol
LogP0.85
Rot. Bonds2

About (6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone

(6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 66581044) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is (6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone
PubChem CID66581044
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name(6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCOc1cccc2c1S(=O)(=O)Cc1c-2n[nH]c1C(=O)N1CCOCC1
InChIInChI=1S/C16H17N3O5S/c1-23-12-4-2-3-10-13-11(9-25(21,22)15(10)12)14(18-17-13)16(20)19-5-7-24-8-6-19/h2-4H,5-9H2,1H3,(H,17,18)
InChIKeyLDZNTWDRENOHJP-UHFFFAOYSA-N
XLogP0.85
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone (CID 66581044) is (6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone is COc1cccc2c1S(=O)(=O)Cc1c-2n[nH]c1C(=O)N1CCOCC1.
What is the InChIKey of (6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is LDZNTWDRENOHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-23-12-4-2-3-10-13-11(9-25(21,22)15(10)12)14(18-17-13)16(20)19-5-7-24-8-6-19/h2-4H,5-9H2,1H3,(H,17,18).
What are the key properties of (6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone?
(6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 363.40 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-5,5-dioxo-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 66581044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).