2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid

C11H16N2O4S — CID 82093363

IUPAC2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid
SMILESCN(C)c1ccc(C(NS(C)(=O)=O)C(=O)O)cc1
InChIInChI=1S/C11H16N2O4S/c1-13(2)9-6-4-8(5-7-9)10(11(14)15)12-18(3,16)17/h4-7,10,12H,1-3H3,(H,14,15)
InChIKeyCEJRLTRSWCOWNC-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.43
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid

2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid (PubChem CID 82093363) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid
PubChem CID82093363
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid
SMILESCN(C)c1ccc(C(NS(C)(=O)=O)C(=O)O)cc1
InChIInChI=1S/C11H16N2O4S/c1-13(2)9-6-4-8(5-7-9)10(11(14)15)12-18(3,16)17/h4-7,10,12H,1-3H3,(H,14,15)
InChIKeyCEJRLTRSWCOWNC-UHFFFAOYSA-N
XLogP0.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(dimethylamino)phenyl]-2-hydrazinylacetic acid
CID 82126690
2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
CID 84748929
(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
CID 7022656
2-bromo-2-[4-(dimethylamino)phenyl]acetic acid
CID 20558335
2-(3-bromo-4-methoxyphenyl)-2-(methanesulfonamido)acetic acid
CID 146092817
(2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide
CID 110287123
methyl 2-bromo-2-[4-(dimethylamino)phenyl]acetate
CID 58583827
(2S)-2-(2-methylsulfonylethylsulfonylamino)-2-phenylacetic acid
CID 103862434
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086
(2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122069284
2-[4-(dimethylamino)phenyl]-3-methoxypropanoic acid
CID 58915416
(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid
CID 95440369

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid (CID 82093363) is 2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid is CN(C)c1ccc(C(NS(C)(=O)=O)C(=O)O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid?
The InChIKey is CEJRLTRSWCOWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-13(2)9-6-4-8(5-7-9)10(11(14)15)12-18(3,16)17/h4-7,10,12H,1-3H3,(H,14,15).
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid?
2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid has a molecular weight of 272.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid is sourced from PubChem (CID 82093363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).