2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide

C13H19N5O3S — CID 154738122

IUPAC2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)N[C@H]1CCO[C@@H]1c1nccn1C
InChIInChI=1S/C13H19N5O3S/c1-3-18-11(4-6-15-18)22(19,20)16-10-5-9-21-12(10)13-14-7-8-17(13)2/h4,6-8,10,12,16H,3,5,9H2,1-2H3/t10-,12-/m0/s1
InChIKeyHUFOVAMUZUIDDX-JQWIXIFHSA-N
MW325.39 g/mol
LogP0.44
Rot. Bonds5

About 2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide

2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide (PubChem CID 154738122) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide
PubChem CID154738122
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Name2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)N[C@H]1CCO[C@@H]1c1nccn1C
InChIInChI=1S/C13H19N5O3S/c1-3-18-11(4-6-15-18)22(19,20)16-10-5-9-21-12(10)13-14-7-8-17(13)2/h4,6-8,10,12,16H,3,5,9H2,1-2H3/t10-,12-/m0/s1
InChIKeyHUFOVAMUZUIDDX-JQWIXIFHSA-N
XLogP0.44
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopentyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanesulfonamide
CID 127958223
2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide
CID 128975417
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide
CID 128975406
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide
CID 129003579
(2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 154794407
6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide
CID 126826695
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
2-(3,5-dimethylpyrazol-1-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986083
3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128969379
1-[(4-fluorophenyl)methyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 128977421
3-(furan-2-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128986107

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide?
The IUPAC name of 2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide (CID 154738122) is 2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide is CCn1nccc1S(=O)(=O)N[C@H]1CCO[C@@H]1c1nccn1C.
What is the InChIKey of 2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide?
The InChIKey is HUFOVAMUZUIDDX-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-3-18-11(4-6-15-18)22(19,20)16-10-5-9-21-12(10)13-14-7-8-17(13)2/h4,6-8,10,12,16H,3,5,9H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of 2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide?
2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide is sourced from PubChem (CID 154738122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).