3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid

C13H21N3O4S — CID 103340902

IUPAC3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)Nc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H21N3O4S/c1-9(2)11(7-13(17)18)15-12-6-5-10(8-14-12)21(19,20)16(3)4/h5-6,8-9,11H,7H2,1-4H3,(H,14,15)(H,17,18)
InChIKeyWCEAEAXERXPGJW-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.24
Rot. Bonds7

About 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid

3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid (PubChem CID 103340902) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
PubChem CID103340902
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)Nc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H21N3O4S/c1-9(2)11(7-13(17)18)15-12-6-5-10(8-14-12)21(19,20)16(3)4/h5-6,8-9,11H,7H2,1-4H3,(H,14,15)(H,17,18)
InChIKeyWCEAEAXERXPGJW-UHFFFAOYSA-N
XLogP1.24
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341149
6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
CID 103270036
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
CID 103340909
5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340904
N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide
CID 103340977
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
6-(1-cyclobutylethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103850302
3-[4-(dimethylsulfamoyl)anilino]butanoic acid
CID 43453879
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 103602501
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid?
The IUPAC name of 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid (CID 103340902) is 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid is CC(C)C(CC(=O)O)Nc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid?
The InChIKey is WCEAEAXERXPGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9(2)11(7-13(17)18)15-12-6-5-10(8-14-12)21(19,20)16(3)4/h5-6,8-9,11H,7H2,1-4H3,(H,14,15)(H,17,18).
What are the key properties of 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid?
3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid has a molecular weight of 315.40 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 103340902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).