1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide

C13H19N5O3S — CID 128972184

IUPAC1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1C
InChIInChI=1S/C13H19N5O3S/c1-9-15-12(8-17(9)2)22(19,20)16-11-4-5-21-13(11)10-6-14-18(3)7-10/h6-8,11,13,16H,4-5H2,1-3H3/t11-,13+/m0/s1
InChIKeySDVPZNPDSPGIQT-WCQYABFASA-N
MW325.39 g/mol
LogP0.27
Rot. Bonds4

About 1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide

1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide (PubChem CID 128972184) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide
PubChem CID128972184
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Name1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1C
InChIInChI=1S/C13H19N5O3S/c1-9-15-12(8-17(9)2)22(19,20)16-11-4-5-21-13(11)10-6-14-18(3)7-10/h6-8,11,13,16H,4-5H2,1-3H3/t11-,13+/m0/s1
InChIKeySDVPZNPDSPGIQT-WCQYABFASA-N
XLogP0.27
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide
CID 128992375
6-chloro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 129005358
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129005271
1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide
CID 62063852
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1-[(2S)-oxolan-2-yl]methanesulfonamide
CID 129333429
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64816640
N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide
CID 103836016
N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 55030433
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 62062084
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide
CID 129003579
N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063676
2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128997737

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide (CID 128972184) is 1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide?
The InChIKey is SDVPZNPDSPGIQT-WCQYABFASA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-9-15-12(8-17(9)2)22(19,20)16-11-4-5-21-13(11)10-6-14-18(3)7-10/h6-8,11,13,16H,4-5H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of 1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 128972184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).