N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide

C6H11N3O2S2 — CID 60916750

IUPACN-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
SMILESCSCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C6H11N3O2S2/c1-12-3-2-9-13(10,11)6-4-7-8-5-6/h4-5,9H,2-3H2,1H3,(H,7,8)
InChIKeyWBBYQYUUAVWYQH-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.05
Rot. Bonds5

About N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide

N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60916750) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60916750
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC NameN-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
SMILESCSCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C6H11N3O2S2/c1-12-3-2-9-13(10,11)6-4-7-8-5-6/h4-5,9H,2-3H2,1H3,(H,7,8)
InChIKeyWBBYQYUUAVWYQH-UHFFFAOYSA-N
XLogP0.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229
N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide
CID 106135484
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 113226739
N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide
CID 115628631
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 47959278
N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide
CID 115599999
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374
N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115899543
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630
6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63963985
4-(2-methylsulfanylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43525958

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide (CID 60916750) is N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide is CSCCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is WBBYQYUUAVWYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-12-3-2-9-13(10,11)6-4-7-8-5-6/h4-5,9H,2-3H2,1H3,(H,7,8).
What are the key properties of N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide?
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 221.31 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60916750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).