5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

C10H16N4O5S2 — CID 65386321

IUPAC5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2(C)CCS(=O)(=O)C2)c1S(N)(=O)=O
InChIInChI=1S/C10H16N4O5S2/c1-6-8(21(11,18)19)7(14-13-6)9(15)12-10(2)3-4-20(16,17)5-10/h3-5H2,1-2H3,(H,12,15)(H,13,14)(H2,11,18,19)
InChIKeyAPFAZYDTZPSAKC-UHFFFAOYSA-N
MW336.40 g/mol
LogP-1.33
Rot. Bonds3

About 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65386321) has the molecular formula C10H16N4O5S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65386321
Molecular FormulaC10H16N4O5S2
Molecular Weight336.40 g/mol
Exact Mass336.06
IUPAC Name5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2(C)CCS(=O)(=O)C2)c1S(N)(=O)=O
InChIInChI=1S/C10H16N4O5S2/c1-6-8(21(11,18)19)7(14-13-6)9(15)12-10(2)3-4-20(16,17)5-10/h3-5H2,1-2H3,(H,12,15)(H,13,14)(H2,11,18,19)
InChIKeyAPFAZYDTZPSAKC-UHFFFAOYSA-N
XLogP-1.33
TPSA152.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65386321) is 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC2(C)CCS(=O)(=O)C2)c1S(N)(=O)=O.
What is the InChIKey of 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is APFAZYDTZPSAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S2/c1-6-8(21(11,18)19)7(14-13-6)9(15)12-10(2)3-4-20(16,17)5-10/h3-5H2,1-2H3,(H,12,15)(H,13,14)(H2,11,18,19).
What are the key properties of 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of -1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65386321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).