4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid

C12H18N2O4S — CID 28774366

IUPAC4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid
SMILESCN(CCc1ccccn1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-14(9-7-11-5-2-3-8-13-11)19(17,18)10-4-6-12(15)16/h2-3,5,8H,4,6-7,9-10H2,1H3,(H,15,16)
InChIKeyFPWONHOJPXCAKS-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.75
Rot. Bonds8

About 4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid

4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid (PubChem CID 28774366) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid
PubChem CID28774366
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid
SMILESCN(CCc1ccccn1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-14(9-7-11-5-2-3-8-13-11)19(17,18)10-4-6-12(15)16/h2-3,5,8H,4,6-7,9-10H2,1H3,(H,15,16)
InChIKeyFPWONHOJPXCAKS-UHFFFAOYSA-N
XLogP0.75
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid
CID 60953631
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 115756308
4-[methyl(2-phenylethylsulfonyl)amino]butanoic acid
CID 39385608
4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid
CID 60950649
3-[2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486086
5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 29077623
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
CID 82854201
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid (CID 28774366) is 4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid is CN(CCc1ccccn1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid?
The InChIKey is FPWONHOJPXCAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-14(9-7-11-5-2-3-8-13-11)19(17,18)10-4-6-12(15)16/h2-3,5,8H,4,6-7,9-10H2,1H3,(H,15,16).
What are the key properties of 4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid?
4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid has a molecular weight of 286.35 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 28774366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).