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

C13H21N3O4S — CID 103340904

IUPAC5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H21N3O4S/c1-10(4-7-13(17)18)8-14-12-6-5-11(9-15-12)21(19,20)16(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,15)(H,17,18)
InChIKeyMZWZFNJHUJWUAY-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.24
Rot. Bonds8

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

5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid (PubChem CID 103340904) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
PubChem CID103340904
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H21N3O4S/c1-10(4-7-13(17)18)8-14-12-6-5-11(9-15-12)21(19,20)16(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,15)(H,17,18)
InChIKeyMZWZFNJHUJWUAY-UHFFFAOYSA-N
XLogP1.24
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
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-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103748498
6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 107389803
3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340902
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
CID 103340909
6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 107159183
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide
CID 104925729
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate
CID 103340848
6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113227585

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid (CID 103340904) is 5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid?
The InChIKey is MZWZFNJHUJWUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-10(4-7-13(17)18)8-14-12-6-5-11(9-15-12)21(19,20)16(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,15)(H,17,18).
What are the key properties of 5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid?
5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid has a molecular weight of 315.40 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 103340904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).