methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate

C7H11N3O4S — CID 61275343

IUPACmethyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H11N3O4S/c1-5(7(11)14-2)10-15(12,13)6-3-8-9-4-6/h3-5,10H,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyXOGWNJRBVDMWPU-YFKPBYRVSA-N
MW233.25 g/mol
LogP-0.75
Rot. Bonds4

About methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate

methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate (PubChem CID 61275343) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate
PubChem CID61275343
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Namemethyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H11N3O4S/c1-5(7(11)14-2)10-15(12,13)6-3-8-9-4-6/h3-5,10H,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyXOGWNJRBVDMWPU-YFKPBYRVSA-N
XLogP-0.75
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-methyl-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 61138000
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 47470284
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
(2S)-4-methoxy-4-oxo-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 55136441
N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47363914
4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 55075853
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 79267207
N'-hydroxy-3-(1H-pyrazol-4-ylsulfonylamino)pentanimidamide
CID 76947951
5-methoxy-5-oxo-2-(1H-pyrazol-4-ylsulfonylamino)pentanoic acid
CID 82786695
2-methyl-3-(1H-pyrazol-4-ylsulfonylamino)propanethioamide
CID 62665957
methyl 2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 60626142
methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 87040237

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate?
The IUPAC name of methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate (CID 61275343) is methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate is COC(=O)[C@H](C)NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate?
The InChIKey is XOGWNJRBVDMWPU-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-5(7(11)14-2)10-15(12,13)6-3-8-9-4-6/h3-5,10H,1-2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate?
methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate has a molecular weight of 233.25 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate is sourced from PubChem (CID 61275343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).