methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate

C12H18N2O4S — CID 61460319

IUPACmethyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C12H18N2O4S/c1-18-12(15)6-4-10-19(16,17)14-9-7-11-5-2-3-8-13-11/h2-3,5,8,14H,4,6-7,9-10H2,1H3
InChIKeyWSIGBLYGMAEHPB-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.50
Rot. Bonds8

About methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate

methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate (PubChem CID 61460319) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate
PubChem CID61460319
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C12H18N2O4S/c1-18-12(15)6-4-10-19(16,17)14-9-7-11-5-2-3-8-13-11/h2-3,5,8,14H,4,6-7,9-10H2,1H3
InChIKeyWSIGBLYGMAEHPB-UHFFFAOYSA-N
XLogP0.50
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-pyridin-4-ylethylsulfamoyl)butanoate
CID 61460662
methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate
CID 104626602
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
methyl 4-[propan-2-yl(pyridin-2-ylmethyl)sulfamoyl]butanoate
CID 61460671
methyl 3-[ethyl(2-pyridin-2-ylethylsulfonyl)amino]propanoate
CID 61011191
methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate
CID 115123641
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
CID 63296937
methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate
CID 54952273
3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide
CID 131923133
methyl 6-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]hexanoate
CID 111194562
methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate (CID 61460319) is methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)NCCc1ccccn1.
What is the InChIKey of methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate?
The InChIKey is WSIGBLYGMAEHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-12(15)6-4-10-19(16,17)14-9-7-11-5-2-3-8-13-11/h2-3,5,8,14H,4,6-7,9-10H2,1H3.
What are the key properties of methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate?
methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate has a molecular weight of 286.35 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate is sourced from PubChem (CID 61460319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).