(2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone

C14H17N3O4S — CID 128996882

IUPAC(2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone
SMILESCc1occc1C(=O)N1CCS(=O)(=O)CC1c1cnn(C)c1
InChIInChI=1S/C14H17N3O4S/c1-10-12(3-5-21-10)14(18)17-4-6-22(19,20)9-13(17)11-7-15-16(2)8-11/h3,5,7-8,13H,4,6,9H2,1-2H3
InChIKeyIAOJJCKMRBVGFL-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.93
Rot. Bonds2

About (2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone

(2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone (PubChem CID 128996882) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone
PubChem CID128996882
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name(2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone
SMILESCc1occc1C(=O)N1CCS(=O)(=O)CC1c1cnn(C)c1
InChIInChI=1S/C14H17N3O4S/c1-10-12(3-5-21-10)14(18)17-4-6-22(19,20)9-13(17)11-7-15-16(2)8-11/h3,5,7-8,13H,4,6,9H2,1-2H3
InChIKeyIAOJJCKMRBVGFL-UHFFFAOYSA-N
XLogP0.93
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone (CID 128996882) is (2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone is Cc1occc1C(=O)N1CCS(=O)(=O)CC1c1cnn(C)c1.
What is the InChIKey of (2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The InChIKey is IAOJJCKMRBVGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-10-12(3-5-21-10)14(18)17-4-6-22(19,20)9-13(17)11-7-15-16(2)8-11/h3,5,7-8,13H,4,6,9H2,1-2H3.
What are the key properties of (2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
(2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone has a molecular weight of 323.37 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone is sourced from PubChem (CID 128996882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).