methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate

C10H18N4O4S — CID 105358757

IUPACmethyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C10H18N4O4S/c1-5-14(6-8(15)18-4)19(16,17)9-7(2)13(3)12-10(9)11/h5-6H2,1-4H3,(H2,11,12)
InChIKeyYTHROMXBVSPQRD-UHFFFAOYSA-N
MW290.35 g/mol
LogP-0.51
Rot. Bonds5

About methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate

methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate (PubChem CID 105358757) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate
PubChem CID105358757
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Namemethyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C10H18N4O4S/c1-5-14(6-8(15)18-4)19(16,17)9-7(2)13(3)12-10(9)11/h5-6H2,1-4H3,(H2,11,12)
InChIKeyYTHROMXBVSPQRD-UHFFFAOYSA-N
XLogP-0.51
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357885
ethyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 105358639
3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 105359169
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359279
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913926
N,N-diethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19682136
methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate
CID 54998225
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358755
methyl 2-[(2-amino-4-methylphenyl)sulfonyl-ethylamino]acetate
CID 54998555
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358853
methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate
CID 104710370

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate?
The IUPAC name of methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate (CID 105358757) is methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate?
The canonical SMILES for methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate is CCN(CC(=O)OC)S(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate?
The InChIKey is YTHROMXBVSPQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-5-14(6-8(15)18-4)19(16,17)9-7(2)13(3)12-10(9)11/h5-6H2,1-4H3,(H2,11,12).
What are the key properties of methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate?
methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate has a molecular weight of 290.35 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate is sourced from PubChem (CID 105358757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).