(1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone

C8H11N3O3S — CID 43582189

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H11N3O3S/c12-8(7-5-9-10-6-7)11-1-3-15(13,14)4-2-11/h5-6H,1-4H2,(H,9,10)
InChIKeyRGMBJVUXHXGYCM-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.72
Rot. Bonds1

About (1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 43582189) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID43582189
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H11N3O3S/c12-8(7-5-9-10-6-7)11-1-3-15(13,14)4-2-11/h5-6H,1-4H2,(H,9,10)
InChIKeyRGMBJVUXHXGYCM-UHFFFAOYSA-N
XLogP-0.72
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-Dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1-ethylpyrazol-4-yl)methanone
CID 71854764
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019
(5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581928
1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone
CID 43581948
N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43582039
N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide
CID 43582888
N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide
CID 43615577
N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide
CID 43649066
(4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 54876916
N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 54876928
N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 54876939
N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide
CID 54876954

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone (CID 43582189) is (1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is RGMBJVUXHXGYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c12-8(7-5-9-10-6-7)11-1-3-15(13,14)4-2-11/h5-6H,1-4H2,(H,9,10).
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 229.26 g/mol, XLogP of -0.72, 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)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 43582189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).