2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid

C9H19N3O4S — CID 70945674

IUPAC2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H19N3O4S/c10-8(9(13)14)4-5-11-17(15,16)12-6-2-1-3-7-12/h8,11H,1-7,10H2,(H,13,14)
InChIKeyLHQPIWLEPMAMFD-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.89
Rot. Bonds6

About 2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid

2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid (PubChem CID 70945674) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
PubChem CID70945674
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Name2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H19N3O4S/c10-8(9(13)14)4-5-11-17(15,16)12-6-2-1-3-7-12/h8,11H,1-7,10H2,(H,13,14)
InChIKeyLHQPIWLEPMAMFD-UHFFFAOYSA-N
XLogP-0.89
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[(4-methylpiperazin-1-yl)sulfonylamino]butanoic acid
CID 70945316
4-(azepan-1-ylsulfonylamino)-2-methylbutanoic acid
CID 80540504
(2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934018
2-methyl-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 80540441
N-[(3R)-3-aminobutyl]azepane-1-sulfonamide
CID 95037628
N-(3-hydroxybutyl)piperidine-1-sulfonamide
CID 64911230
2-amino-4-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 70945526
2-amino-4-[(4-imidazol-1-ylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 67154426
N-(3-bromobutyl)piperidine-1-sulfonamide
CID 114297689
2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid
CID 70945854
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
(2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid
CID 70945668

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid?
The IUPAC name of 2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid (CID 70945674) is 2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid is NC(CCNS(=O)(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid?
The InChIKey is LHQPIWLEPMAMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c10-8(9(13)14)4-5-11-17(15,16)12-6-2-1-3-7-12/h8,11H,1-7,10H2,(H,13,14).
What are the key properties of 2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid?
2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid has a molecular weight of 265.33 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 70945674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).