3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide

C10H19N3O3S2 — CID 112667025

IUPAC3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCSCC(C)N(C)S(=O)(=O)c1c(CO)n[nH]c1C
InChIInChI=1S/C10H19N3O3S2/c1-7(6-17-4)13(3)18(15,16)10-8(2)11-12-9(10)5-14/h7,14H,5-6H2,1-4H3,(H,11,12)
InChIKeyDAWAJVUJHHDJQM-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.58
Rot. Bonds6

About 3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide

3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 112667025) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID112667025
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC Name3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCSCC(C)N(C)S(=O)(=O)c1c(CO)n[nH]c1C
InChIInChI=1S/C10H19N3O3S2/c1-7(6-17-4)13(3)18(15,16)10-8(2)11-12-9(10)5-14/h7,14H,5-6H2,1-4H3,(H,11,12)
InChIKeyDAWAJVUJHHDJQM-UHFFFAOYSA-N
XLogP0.58
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114135571
3-(ethylaminomethyl)-5-methyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106079848
methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 102749197
3-(ethylaminomethyl)-5-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-4-sulfonamide
CID 106064926
3-(hydroxymethyl)-5-methyl-N-(5-methylsulfanylpentyl)-1H-pyrazole-4-sulfonamide
CID 106002472
N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114133349
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107451513
3-(chloromethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 79470825
3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 107817829
N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 79470718
2-hydroxy-4-methyl-5-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]benzoic acid
CID 115985591
N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 115901960

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide (CID 112667025) is 3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide is CSCC(C)N(C)S(=O)(=O)c1c(CO)n[nH]c1C.
What is the InChIKey of 3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DAWAJVUJHHDJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-7(6-17-4)13(3)18(15,16)10-8(2)11-12-9(10)5-14/h7,14H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 293.41 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 112667025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).