ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate

C11H19N3O4S — CID 54901433

IUPACethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H19N3O4S/c1-5-18-11(15)7-14(8(2)3)19(16,17)10-6-12-13-9(10)4/h6,8H,5,7H2,1-4H3,(H,12,13)
InChIKeyHONJKZNLJVXJDN-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.68
Rot. Bonds6

About ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate

ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate (PubChem CID 54901433) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
PubChem CID54901433
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Nameethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H19N3O4S/c1-5-18-11(15)7-14(8(2)3)19(16,17)10-6-12-13-9(10)4/h6,8H,5,7H2,1-4H3,(H,12,13)
InChIKeyHONJKZNLJVXJDN-UHFFFAOYSA-N
XLogP0.68
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
CID 60911348
methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate
CID 54998225
ethyl 2-[(2,5-dimethylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 61021456
ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 61107551
ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 61125279
N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 54944620
methyl 3-[2-methylpropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoate
CID 60959588
ethyl 2-[(2-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
CID 61127209
ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate
CID 61047092
ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
CID 61022883
N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60959234
ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate
CID 62490262

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate (CID 54901433) is ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate?
The InChIKey is HONJKZNLJVXJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-5-18-11(15)7-14(8(2)3)19(16,17)10-6-12-13-9(10)4/h6,8H,5,7H2,1-4H3,(H,12,13).
What are the key properties of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate?
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate has a molecular weight of 289.36 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate is sourced from PubChem (CID 54901433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).