methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate

C12H18N2O4S — CID 43624461

IUPACmethyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate
SMILESCCCC(C)(NS(=O)(=O)c1cccnc1)C(=O)OC
InChIInChI=1S/C12H18N2O4S/c1-4-7-12(2,11(15)18-3)14-19(16,17)10-6-5-8-13-9-10/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyZCASNRGBUCJWGZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.09
Rot. Bonds6

About methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate

methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate (PubChem CID 43624461) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate
PubChem CID43624461
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate
SMILESCCCC(C)(NS(=O)(=O)c1cccnc1)C(=O)OC
InChIInChI=1S/C12H18N2O4S/c1-4-7-12(2,11(15)18-3)14-19(16,17)10-6-5-8-13-9-10/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyZCASNRGBUCJWGZ-UHFFFAOYSA-N
XLogP1.09
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate?
The IUPAC name of methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate (CID 43624461) is methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate is CCCC(C)(NS(=O)(=O)c1cccnc1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate?
The InChIKey is ZCASNRGBUCJWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-4-7-12(2,11(15)18-3)14-19(16,17)10-6-5-8-13-9-10/h5-6,8-9,14H,4,7H2,1-3H3.
What are the key properties of methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate?
methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate has a molecular weight of 286.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate is sourced from PubChem (CID 43624461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).