N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide

C13H19N5O3S — CID 128975406

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C13H19N5O3S/c1-3-18-6-5-14-13(18)12-11(4-7-21-12)16-22(19,20)10-8-15-17(2)9-10/h5-6,8-9,11-12,16H,3-4,7H2,1-2H3/t11-,12-/m0/s1
InChIKeyDSCSOIDKZGYSDT-RYUDHWBXSA-N
MW325.39 g/mol
LogP0.44
Rot. Bonds5

About N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 128975406) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID128975406
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C13H19N5O3S/c1-3-18-6-5-14-13(18)12-11(4-7-21-12)16-22(19,20)10-8-15-17(2)9-10/h5-6,8-9,11-12,16H,3-4,7H2,1-2H3/t11-,12-/m0/s1
InChIKeyDSCSOIDKZGYSDT-RYUDHWBXSA-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

Analyze N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-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

6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide
CID 126826695
2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide
CID 154738122
trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 138017013
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128967819
1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(1-methylpyrazol-3-yl)urea
CID 128982943
(2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine
CID 129475592
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 128976336
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine
CID 128966063
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 167954245
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide
CID 128989734
1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea
CID 167864411
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 100630745

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide (CID 128975406) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide is CCn1ccnc1[C@H]1OCC[C@@H]1NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is DSCSOIDKZGYSDT-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-3-18-6-5-14-13(18)12-11(4-7-21-12)16-22(19,20)10-8-15-17(2)9-10/h5-6,8-9,11-12,16H,3-4,7H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-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 N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 128975406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).