methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate

C10H17N3O4S — CID 104710344

IUPACmethyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
SMILESCOC(=O)C(NS(=O)(=O)c1ccnn1C)C(C)C
InChIInChI=1S/C10H17N3O4S/c1-7(2)9(10(14)17-4)12-18(15,16)8-5-6-11-13(8)3/h5-7,9,12H,1-4H3
InChIKeyPQLMWLDYFVMAKU-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.10
Rot. Bonds5

About methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate

methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate (PubChem CID 104710344) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
PubChem CID104710344
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Namemethyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
SMILESCOC(=O)C(NS(=O)(=O)c1ccnn1C)C(C)C
InChIInChI=1S/C10H17N3O4S/c1-7(2)9(10(14)17-4)12-18(15,16)8-5-6-11-13(8)3/h5-7,9,12H,1-4H3
InChIKeyPQLMWLDYFVMAKU-UHFFFAOYSA-N
XLogP-0.10
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-[[2-(methoxymethyl)pyrazol-3-yl]sulfonylamino]-2-methylpropanoate
CID 86818231
3,3,3-Trifluoro-2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 113443912
(2S)-4-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]sulfonylamino]pentanoic acid
CID 166386859
(2R,3S)-3-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]sulfonylamino]pentanoic acid
CID 166386949
methyl 2-(N-isopropyl-1-methyl-1H-pyrazole-3-sulfonamido)acetate
CID 118222636
2-(methoxymethyl)-N-(3-methylbutyl)pyrazole-3-sulfonamide
CID 162751092
2-[4-[(1-Methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511209
Methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate
CID 43608048
Methyl 3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoate
CID 43624162
methyl (2S)-3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoate
CID 47066910
Methyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]-3,3-dimethylbutanoate
CID 60333358
2-[4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 61143019

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate (CID 104710344) is methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate is COC(=O)C(NS(=O)(=O)c1ccnn1C)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate?
The InChIKey is PQLMWLDYFVMAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-7(2)9(10(14)17-4)12-18(15,16)8-5-6-11-13(8)3/h5-7,9,12H,1-4H3.
What are the key properties of methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate?
methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate has a molecular weight of 275.33 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate is sourced from PubChem (CID 104710344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).