2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid

C11H16N2O6S2 — CID 120660361

IUPAC2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid
SMILESCC(CN(C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)O
InChIInChI=1S/C11H16N2O6S2/c1-8(11(14)15)7-13(2)21(18,19)9-4-5-10(12-6-9)20(3,16)17/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeySWRSHMQNPBMRRC-UHFFFAOYSA-N
MW336.39 g/mol
LogP-0.17
Rot. Bonds6

About 2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid

2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid (PubChem CID 120660361) has the molecular formula C11H16N2O6S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid
PubChem CID120660361
Molecular FormulaC11H16N2O6S2
Molecular Weight336.39 g/mol
Exact Mass336.04
IUPAC Name2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid
SMILESCC(CN(C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)O
InChIInChI=1S/C11H16N2O6S2/c1-8(11(14)15)7-13(2)21(18,19)9-4-5-10(12-6-9)20(3,16)17/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeySWRSHMQNPBMRRC-UHFFFAOYSA-N
XLogP-0.17
TPSA121.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 122072863
3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478
2-methyl-3-(N-methyl-4-methylsulfonylanilino)propanoic acid
CID 55007680
6-(ethylamino)-N-(2-hydroxypropyl)-N-methylpyridine-3-sulfonamide
CID 62337809
3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008419
2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide
CID 62336474
2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709586
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 106139180
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 103602501
2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122064922
N-butan-2-yl-6-methylsulfonylpyridin-3-amine
CID 43675267
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid (CID 120660361) is 2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid is CC(CN(C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid?
The InChIKey is SWRSHMQNPBMRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S2/c1-8(11(14)15)7-13(2)21(18,19)9-4-5-10(12-6-9)20(3,16)17/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid?
2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid has a molecular weight of 336.39 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid is sourced from PubChem (CID 120660361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).