ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate

C12H22N4O4S — CID 61125279

IUPACethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C12H22N4O4S/c1-5-15-7-10(12(13)14-15)21(18,19)16(9(3)4)8-11(17)20-6-2/h7,9H,5-6,8H2,1-4H3,(H2,13,14)
InChIKeyLEMJSKSHHVPFMU-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.45
Rot. Bonds7

About ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate

ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate (PubChem CID 61125279) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
PubChem CID61125279
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC Nameethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C12H22N4O4S/c1-5-15-7-10(12(13)14-15)21(18,19)16(9(3)4)8-11(17)20-6-2/h7,9H,5-6,8H2,1-4H3,(H2,13,14)
InChIKeyLEMJSKSHHVPFMU-UHFFFAOYSA-N
XLogP0.45
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide
CID 61126801
ethyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 105358639
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 54901433
ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 61107552
3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide
CID 60807966
ethyl 2-[(2,5-dimethylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 61021456
ethyl 2-[(2-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
CID 61127209
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 61126808
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide
CID 54922809
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114473
3-amino-1-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-4-sulfonamide
CID 61426376
ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
CID 61022883

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate (CID 61125279) is ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)c1cn(CC)nc1N.
What is the InChIKey of ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate?
The InChIKey is LEMJSKSHHVPFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-5-15-7-10(12(13)14-15)21(18,19)16(9(3)4)8-11(17)20-6-2/h7,9H,5-6,8H2,1-4H3,(H2,13,14).
What are the key properties of ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate?
ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate has a molecular weight of 318.40 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate is sourced from PubChem (CID 61125279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).