1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide

C11H17N5O2S — CID 125439759

IUPAC1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide
SMILESCc1cnn([C@H](C)CNS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C11H17N5O2S/c1-9-4-13-16(6-9)10(2)5-14-19(17,18)11-7-15(3)8-12-11/h4,6-8,10,14H,5H2,1-3H3/t10-/m1/s1
InChIKeyRTIXZHZKZJSQBE-SNVBAGLBSA-N
MW283.36 g/mol
LogP0.46
Rot. Bonds5

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

1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide (PubChem CID 125439759) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide
PubChem CID125439759
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide
SMILESCc1cnn([C@H](C)CNS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C11H17N5O2S/c1-9-4-13-16(6-9)10(2)5-14-19(17,18)11-7-15(3)8-12-11/h4,6-8,10,14H,5H2,1-3H3/t10-/m1/s1
InChIKeyRTIXZHZKZJSQBE-SNVBAGLBSA-N
XLogP0.46
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 62666691
2-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62675882
N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide
CID 63730763
N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide
CID 66175851
1-methyl-N-[2-(propan-2-ylamino)ethyl]imidazole-4-sulfonamide
CID 62664968
N-(3-bromobutyl)-1-methylimidazole-4-sulfonamide
CID 114297718
N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide
CID 125437102
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide
CID 104594021
N-(2-bromo-2-cyclopropylethyl)-1-methylimidazole-4-sulfonamide
CID 114294580
N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide
CID 106125952
4,4-dimethyl-2-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]pentanoic acid
CID 107474612
N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide
CID 115362968

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide (CID 125439759) is 1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide is Cc1cnn([C@H](C)CNS(=O)(=O)c2cn(C)cn2)c1.
What is the InChIKey of 1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide?
The InChIKey is RTIXZHZKZJSQBE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-9-4-13-16(6-9)10(2)5-14-19(17,18)11-7-15(3)8-12-11/h4,6-8,10,14H,5H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide?
1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-sulfonamide is sourced from PubChem (CID 125439759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).