methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate

C10H18N4O4S — CID 61140349

IUPACmethyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H18N4O4S/c1-7(10(15)18-4)5-14(3)19(16,17)8-6-13(2)12-9(8)11/h6-7H,5H2,1-4H3,(H2,11,12)
InChIKeyGTHGHZAPLBSFBK-UHFFFAOYSA-N
MW290.35 g/mol
LogP-0.57
Rot. Bonds5

About methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate

methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate (PubChem CID 61140349) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate
PubChem CID61140349
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Namemethyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H18N4O4S/c1-7(10(15)18-4)5-14(3)19(16,17)8-6-13(2)12-9(8)11/h6-7H,5H2,1-4H3,(H2,11,12)
InChIKeyGTHGHZAPLBSFBK-UHFFFAOYSA-N
XLogP-0.57
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 ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate
CID 47305061
Methyl 3-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate
CID 54899374
3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide
CID 54922707
3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide
CID 54922758
3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide
CID 54923092
Methyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate
CID 54942208
Methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate
CID 54959522
Methyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]propanoate
CID 54959572
Ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate
CID 54960178
Ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]acetate
CID 54969157
methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]propanoate
CID 54997234
Methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]propanoate
CID 54997235

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate (CID 61140349) is methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate?
The InChIKey is GTHGHZAPLBSFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-7(10(15)18-4)5-14(3)19(16,17)8-6-13(2)12-9(8)11/h6-7H,5H2,1-4H3,(H2,11,12).
What are the key properties of methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate?
methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate has a molecular weight of 290.35 g/mol, XLogP of -0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 61140349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).