ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate

C12H22N4O4S — CID 61107552

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

About ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate

ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate (PubChem CID 61107552) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
PubChem CID61107552
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC Nameethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H22N4O4S/c1-5-20-11(17)8-16(6-9(2)3)21(18,19)10-7-15(4)14-12(10)13/h7,9H,5-6,8H2,1-4H3,(H2,13,14)
InChIKeyNFTMVICIPNPBCL-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-1-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-sulfonamide
CID 63824958
3-amino-1-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-sulfonamide
CID 63824963
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1-propylpyrazole-4-sulfonamide
CID 105905462
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 105905487
Ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate
CID 19681630
Propyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
CID 40166579
2-[4-(2-Methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43510983
2-[4-(3-Ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511071
2-[4-[Bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511172
2-[4-(2-Ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43591198
Ethyl 2-[(1-methylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 51087616
3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide
CID 54879869

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate (CID 61107552) is ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate?
The InChIKey is NFTMVICIPNPBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-5-20-11(17)8-16(6-9(2)3)21(18,19)10-7-15(4)14-12(10)13/h7,9H,5-6,8H2,1-4H3,(H2,13,14).
What are the key properties of ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate?
ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate has a molecular weight of 318.40 g/mol, XLogP of 0.21, 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-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 61107552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).