N-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide

C11H19N3O3S2 — CID 54877052

IUPACN-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCOCCN(C1CCSC1)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H19N3O3S2/c1-9-11(7-12-13-9)19(15,16)14(4-5-17-2)10-3-6-18-8-10/h7,10H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyXTVUXMDXWLAXPU-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.86
Rot. Bonds6

About N-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide

N-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 54877052) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide
PubChem CID54877052
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC NameN-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCOCCN(C1CCSC1)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H19N3O3S2/c1-9-11(7-12-13-9)19(15,16)14(4-5-17-2)10-3-6-18-8-10/h7,10H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyXTVUXMDXWLAXPU-UHFFFAOYSA-N
XLogP0.86
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide (CID 54877052) is N-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide is COCCN(C1CCSC1)S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is XTVUXMDXWLAXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-9-11(7-12-13-9)19(15,16)14(4-5-17-2)10-3-6-18-8-10/h7,10H,3-6,8H2,1-2H3,(H,12,13).
What are the key properties of N-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide?
N-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 305.43 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54877052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).