4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid

C12H24N2O4S — CID 54925782

IUPAC4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H24N2O4S/c1-11(2)14(10-6-7-12(15)16)19(17,18)13-8-4-3-5-9-13/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyMEONNCKBHNOLGS-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.29
Rot. Bonds7

About 4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid

4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid (PubChem CID 54925782) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid
PubChem CID54925782
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H24N2O4S/c1-11(2)14(10-6-7-12(15)16)19(17,18)13-8-4-3-5-9-13/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyMEONNCKBHNOLGS-UHFFFAOYSA-N
XLogP1.29
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
4-[[Cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid
CID 43361576
1-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60951307
4-[Methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 20992330
4-[Methyl-(1-propan-2-ylpiperidin-4-yl)amino]butanoic acid
CID 64283647
(2S)-2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945673
2-Amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674
(2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid
CID 70945795
2-Amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid
CID 70945797
4-[(1-Butylpiperidin-4-yl)-methylamino]butanoic acid
CID 167203499
1-{[Butyl(ethyl)amino]sulfonyl}piperidine-4-carboxylic acid
CID 25219592

Frequently Asked Questions

What is the IUPAC name of 4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid (CID 54925782) is 4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid?
The InChIKey is MEONNCKBHNOLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-11(2)14(10-6-7-12(15)16)19(17,18)13-8-4-3-5-9-13/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid?
4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid has a molecular weight of 292.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 54925782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).