N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C11H21N3O3S2 — CID 71806381

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H21N3O3S2/c1-8-10(9(2)14(4)13-8)19(16,17)12-6-11(3,15)7-18-5/h12,15H,6-7H2,1-5H3
InChIKeyZIQVOTAOCTUVHW-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.43
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71806381) has the molecular formula C11H21N3O3S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71806381
Molecular FormulaC11H21N3O3S2
Molecular Weight307.44 g/mol
Exact Mass307.10
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H21N3O3S2/c1-8-10(9(2)14(4)13-8)19(16,17)12-6-11(3,15)7-18-5/h12,15H,6-7H2,1-5H3
InChIKeyZIQVOTAOCTUVHW-UHFFFAOYSA-N
XLogP0.43
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71806381) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is CSCC(C)(O)CNS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is ZIQVOTAOCTUVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S2/c1-8-10(9(2)14(4)13-8)19(16,17)12-6-11(3,15)7-18-5/h12,15H,6-7H2,1-5H3.
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 307.44 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).