methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate

C11H17N3O4S — CID 62004980

IUPACmethyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate
SMILESCOC(=O)CN(c1ccc(S(N)(=O)=O)cn1)C(C)C
InChIInChI=1S/C11H17N3O4S/c1-8(2)14(7-11(15)18-3)10-5-4-9(6-13-10)19(12,16)17/h4-6,8H,7H2,1-3H3,(H2,12,16,17)
InChIKeyWYEJMVRAVZNCIQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.12
Rot. Bonds5

About methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate

methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate (PubChem CID 62004980) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate
PubChem CID62004980
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Namemethyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate
SMILESCOC(=O)CN(c1ccc(S(N)(=O)=O)cn1)C(C)C
InChIInChI=1S/C11H17N3O4S/c1-8(2)14(7-11(15)18-3)10-5-4-9(6-13-10)19(12,16)17/h4-6,8H,7H2,1-3H3,(H2,12,16,17)
InChIKeyWYEJMVRAVZNCIQ-UHFFFAOYSA-N
XLogP0.12
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate
CID 62006867
methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate
CID 60653849
methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate
CID 62007235
methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate
CID 66458598
methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propan-2-ylamino]acetate
CID 66331702
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683
methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate
CID 62006483
6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341229
methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate
CID 170337554
methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate
CID 107544124
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213
methyl 2-[propan-2-yl(sulfamoyl)amino]acetate
CID 61074091

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate (CID 62004980) is methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate is COC(=O)CN(c1ccc(S(N)(=O)=O)cn1)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate?
The InChIKey is WYEJMVRAVZNCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-8(2)14(7-11(15)18-3)10-5-4-9(6-13-10)19(12,16)17/h4-6,8H,7H2,1-3H3,(H2,12,16,17).
What are the key properties of methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate?
methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate has a molecular weight of 287.34 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate is sourced from PubChem (CID 62004980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).