ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate

C11H17N3O4S — CID 104710366

IUPACethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C11H17N3O4S/c1-3-18-11(15)8-14(9-4-5-9)19(16,17)10-6-7-12-13(10)2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyQHNHMSPTVAXZLD-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.14
Rot. Bonds6

About ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate

ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate (PubChem CID 104710366) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate
PubChem CID104710366
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Nameethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C11H17N3O4S/c1-3-18-11(15)8-14(9-4-5-9)19(16,17)10-6-7-12-13(10)2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyQHNHMSPTVAXZLD-UHFFFAOYSA-N
XLogP0.14
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 61384357
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ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate
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ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate
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N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
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ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate
CID 79930307
methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate
CID 104710370
methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate
CID 104710365
ethyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 113444020
ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate
CID 82842680
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ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate
CID 114811557

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate (CID 104710366) is ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate is CCOC(=O)CN(C1CC1)S(=O)(=O)c1ccnn1C.
What is the InChIKey of ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate?
The InChIKey is QHNHMSPTVAXZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-3-18-11(15)8-14(9-4-5-9)19(16,17)10-6-7-12-13(10)2/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate?
ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate has a molecular weight of 287.34 g/mol, XLogP of 0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate is sourced from PubChem (CID 104710366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).