methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate

C11H19N3O4S — CID 43624452

IUPACmethyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate
SMILESCCCC(C)(NS(=O)(=O)c1cnn(C)c1)C(=O)OC
InChIInChI=1S/C11H19N3O4S/c1-5-6-11(2,10(15)18-4)13-19(16,17)9-7-12-14(3)8-9/h7-8,13H,5-6H2,1-4H3
InChIKeyZHWBHORYOWUZNN-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.43
Rot. Bonds6

About methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate

methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate (PubChem CID 43624452) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate
PubChem CID43624452
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Namemethyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate
SMILESCCCC(C)(NS(=O)(=O)c1cnn(C)c1)C(=O)OC
InChIInChI=1S/C11H19N3O4S/c1-5-6-11(2,10(15)18-4)13-19(16,17)9-7-12-14(3)8-9/h7-8,13H,5-6H2,1-4H3
InChIKeyZHWBHORYOWUZNN-UHFFFAOYSA-N
XLogP0.43
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 79792160
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-2-methylpentanoate
CID 43431089
2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid
CID 62487843
N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 71975852
(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide
CID 94809728
methyl 2-(hydroxyamino)-2-methylpentanoate
CID 131859710
methyl 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methylpentanoate
CID 43431070
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
CID 62116326
N-(4-bromo-2,2-dimethylbutyl)-1-methylpyrazole-4-sulfonamide
CID 106145835
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 112699565
1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114616511
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate (CID 43624452) is methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate is CCCC(C)(NS(=O)(=O)c1cnn(C)c1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate?
The InChIKey is ZHWBHORYOWUZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-5-6-11(2,10(15)18-4)13-19(16,17)9-7-12-14(3)8-9/h7-8,13H,5-6H2,1-4H3.
What are the key properties of methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate?
methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate has a molecular weight of 289.36 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate is sourced from PubChem (CID 43624452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).