1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide

C11H18N6O2S — CID 125447722

IUPAC1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1cn(C)cn1)c1ncnn1C
InChIInChI=1S/C11H18N6O2S/c1-8(2)10(11-12-6-14-17(11)4)15-20(18,19)9-5-16(3)7-13-9/h5-8,10,15H,1-4H3/t10-/m1/s1
InChIKeyFTCNBRVJPGFNDT-SNVBAGLBSA-N
MW298.37 g/mol
LogP0.22
Rot. Bonds5

About 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide

1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide (PubChem CID 125447722) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide
PubChem CID125447722
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1cn(C)cn1)c1ncnn1C
InChIInChI=1S/C11H18N6O2S/c1-8(2)10(11-12-6-14-17(11)4)15-20(18,19)9-5-16(3)7-13-9/h5-8,10,15H,1-4H3/t10-/m1/s1
InChIKeyFTCNBRVJPGFNDT-SNVBAGLBSA-N
XLogP0.22
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide (CID 125447722) is 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide is CC(C)[C@@H](NS(=O)(=O)c1cn(C)cn1)c1ncnn1C.
What is the InChIKey of 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide?
The InChIKey is FTCNBRVJPGFNDT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-8(2)10(11-12-6-14-17(11)4)15-20(18,19)9-5-16(3)7-13-9/h5-8,10,15H,1-4H3/t10-/m1/s1.
What are the key properties of 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide?
1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide is sourced from PubChem (CID 125447722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).