N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide

C9H15N3O4S2 — CID 63821161

IUPACN-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)C2CCS(=O)(=O)CC2)n[nH]1
InChIInChI=1S/C9H15N3O4S2/c1-7-6-9(11-10-7)12-18(15,16)8-2-4-17(13,14)5-3-8/h6,8H,2-5H2,1H3,(H2,10,11,12)
InChIKeyIUOSRNXVGXLLIS-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.04
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide

N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 63821161) has the molecular formula C9H15N3O4S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide
PubChem CID63821161
Molecular FormulaC9H15N3O4S2
Molecular Weight293.37 g/mol
Exact Mass293.05
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)C2CCS(=O)(=O)CC2)n[nH]1
InChIInChI=1S/C9H15N3O4S2/c1-7-6-9(11-10-7)12-18(15,16)8-2-4-17(13,14)5-3-8/h6,8H,2-5H2,1H3,(H2,10,11,12)
InChIKeyIUOSRNXVGXLLIS-UHFFFAOYSA-N
XLogP0.04
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide (CID 63821161) is N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide is Cc1cc(NS(=O)(=O)C2CCS(=O)(=O)CC2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is IUOSRNXVGXLLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S2/c1-7-6-9(11-10-7)12-18(15,16)8-2-4-17(13,14)5-3-8/h6,8H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide?
N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 293.37 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 63821161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).