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

C8H13N3O4S — CID 104710358

IUPACmethyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C8H13N3O4S/c1-11-7(3-5-9-11)16(13,14)10-6-4-8(12)15-2/h3,5,10H,4,6H2,1-2H3
InChIKeyOVYWHYVPZWHLQS-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.74
Rot. Bonds5

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

methyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate (PubChem CID 104710358) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is methyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate
PubChem CID104710358
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Namemethyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C8H13N3O4S/c1-11-7(3-5-9-11)16(13,14)10-6-4-8(12)15-2/h3,5,10H,4,6H2,1-2H3
InChIKeyOVYWHYVPZWHLQS-UHFFFAOYSA-N
XLogP-0.74
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.74
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
N,1-dimethyl-1H-pyrazole-5-sulfonamide
CID 112692806
N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide
CID 134398305
methyl ((1-isopropyl-1H-pyrazol-3-yl)sulfonyl)carbamate
CID 146523046
N-butyl-2-(methoxymethyl)pyrazole-3-sulfonamide
CID 156186365
N-butyl-1-methylpyrazole-3-sulfonamide
CID 156186389
2-(methoxymethyl)-N-(3-methylbutyl)pyrazole-3-sulfonamide
CID 162751092
N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide
CID 163803950
2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide
CID 167287792
2-(methoxymethyl)-N-[2-[methyl(sulfanyl)amino]ethyl]pyrazole-3-sulfonamide
CID 174164602
methyl N-(1-methylpyrazol-3-yl)sulfonylcarbamate
CID 175955116

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate (CID 104710358) is methyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate is COC(=O)CCNS(=O)(=O)c1ccnn1C.
What is the InChIKey of methyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate?
The InChIKey is OVYWHYVPZWHLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-11-7(3-5-9-11)16(13,14)10-6-4-8(12)15-2/h3,5,10H,4,6H2,1-2H3.
What are the key properties of methyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate?
methyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate has a molecular weight of 247.28 g/mol, XLogP of -0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate is sourced from PubChem (CID 104710358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).