2-(piperidin-1-ylsulfonylamino)butanoic acid

C9H18N2O4S — CID 43470014

IUPAC2-(piperidin-1-ylsulfonylamino)butanoic acid
SMILESCCC(NS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O4S/c1-2-8(9(12)13)10-16(14,15)11-6-4-3-5-7-11/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyFVWQJOSACKCMQY-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.17
Rot. Bonds5

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

2-(piperidin-1-ylsulfonylamino)butanoic acid (PubChem CID 43470014) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(piperidin-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2-(piperidin-1-ylsulfonylamino)butanoic acid
PubChem CID43470014
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-(piperidin-1-ylsulfonylamino)butanoic acid
SMILESCCC(NS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O4S/c1-2-8(9(12)13)10-16(14,15)11-6-4-3-5-7-11/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyFVWQJOSACKCMQY-UHFFFAOYSA-N
XLogP0.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43470011
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 104935080
4-methylsulfonyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43094874
(2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934949
(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
CID 61173835
4-methylsulfonyl-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43110816
(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28784129
(2S,3S)-2-(azetidin-1-ylsulfonylamino)-3-methylpentanoic acid
CID 122069875
N-(3-oxopentan-2-yl)azepane-1-sulfonamide
CID 64994212
diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate
CID 43431744
(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 28783815

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylsulfonylamino)butanoic acid?
The IUPAC name of 2-(piperidin-1-ylsulfonylamino)butanoic acid (CID 43470014) is 2-(piperidin-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 2-(piperidin-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for 2-(piperidin-1-ylsulfonylamino)butanoic acid is CCC(NS(=O)(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of 2-(piperidin-1-ylsulfonylamino)butanoic acid?
The InChIKey is FVWQJOSACKCMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-2-8(9(12)13)10-16(14,15)11-6-4-3-5-7-11/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(piperidin-1-ylsulfonylamino)butanoic acid?
2-(piperidin-1-ylsulfonylamino)butanoic acid has a molecular weight of 250.32 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 43470014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).