N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide

C14H25N3O3S — CID 126799770

IUPACN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C
InChIInChI=1S/C14H25N3O3S/c1-10-12(9-17(5)16-10)21(18,19)15-8-11-6-7-20-13(11)14(2,3)4/h9,11,13,15H,6-8H2,1-5H3/t11-,13+/m1/s1
InChIKeyGIHUZASHOYFQKL-YPMHNXCESA-N
MW315.44 g/mol
LogP1.46
Rot. Bonds4

About N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 126799770) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID126799770
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C
InChIInChI=1S/C14H25N3O3S/c1-10-12(9-17(5)16-10)21(18,19)15-8-11-6-7-20-13(11)14(2,3)4/h9,11,13,15H,6-8H2,1-5H3/t11-,13+/m1/s1
InChIKeyGIHUZASHOYFQKL-YPMHNXCESA-N
XLogP1.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 19681194
3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 55014323
1,3-dimethyl-N-undecylpyrazole-4-sulfonamide
CID 19681469
1,3-dimethyl-N-octylpyrazole-4-sulfonamide
CID 19681357
N-hexyl-1,3-dimethylpyrazole-4-sulfonamide
CID 19681255
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(1-methylpyrazol-4-yl)urea
CID 128999486
N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 42282214
3-amino-N-(1,4-dioxan-2-ylmethyl)-1-methylpyrazole-4-sulfonamide
CID 54908346
N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 19584272
1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide
CID 19582950
N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 42282271
1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide
CID 19683372

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 126799770) is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C.
What is the InChIKey of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is GIHUZASHOYFQKL-YPMHNXCESA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-10-12(9-17(5)16-10)21(18,19)15-8-11-6-7-20-13(11)14(2,3)4/h9,11,13,15H,6-8H2,1-5H3/t11-,13+/m1/s1.
What are the key properties of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 126799770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).