ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate

C11H19N3O4S — CID 51087616

IUPACethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O4S/c1-5-18-11(15)8-14(9(2)3)19(16,17)10-6-12-13(4)7-10/h6-7,9H,5,8H2,1-4H3
InChIKeyDGFQNLBCVIEYKL-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.38
Rot. Bonds6

About ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate

ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate (PubChem CID 51087616) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
PubChem CID51087616
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Nameethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O4S/c1-5-18-11(15)8-14(9(2)3)19(16,17)10-6-12-13(4)7-10/h6-7,9H,5,8H2,1-4H3
InChIKeyDGFQNLBCVIEYKL-UHFFFAOYSA-N
XLogP0.38
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate (CID 51087616) is ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate?
The InChIKey is DGFQNLBCVIEYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-5-18-11(15)8-14(9(2)3)19(16,17)10-6-12-13(4)7-10/h6-7,9H,5,8H2,1-4H3.
What are the key properties of ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate?
ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate has a molecular weight of 289.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate is sourced from PubChem (CID 51087616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).