(1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C13H19N3O3S — CID 46961742

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCC1CCc2[nH]nc(C(=O)N3CCS(=O)(=O)CC3)c2C1
InChIInChI=1S/C13H19N3O3S/c1-9-2-3-11-10(8-9)12(15-14-11)13(17)16-4-6-20(18,19)7-5-16/h9H,2-8H2,1H3,(H,14,15)
InChIKeyNYDUJNDGSUGROH-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.41
Rot. Bonds1

About (1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 46961742) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID46961742
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCC1CCc2[nH]nc(C(=O)N3CCS(=O)(=O)CC3)c2C1
InChIInChI=1S/C13H19N3O3S/c1-9-2-3-11-10(8-9)12(15-14-11)13(17)16-4-6-20(18,19)7-5-16/h9H,2-8H2,1H3,(H,14,15)
InChIKeyNYDUJNDGSUGROH-UHFFFAOYSA-N
XLogP0.41
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 46961742) is (1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is CC1CCc2[nH]nc(C(=O)N3CCS(=O)(=O)CC3)c2C1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is NYDUJNDGSUGROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-2-3-11-10(8-9)12(15-14-11)13(17)16-4-6-20(18,19)7-5-16/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 297.38 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 46961742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).