4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid

C10H20N2O4S — CID 43151881

IUPAC4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H20N2O4S/c1-11(7-5-6-10(13)14)17(15,16)12-8-3-2-4-9-12/h2-9H2,1H3,(H,13,14)
InChIKeyPCTQDBUIGZIMMC-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.51
Rot. Bonds6

About 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid

4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid (PubChem CID 43151881) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid
PubChem CID43151881
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H20N2O4S/c1-11(7-5-6-10(13)14)17(15,16)12-8-3-2-4-9-12/h2-9H2,1H3,(H,13,14)
InChIKeyPCTQDBUIGZIMMC-UHFFFAOYSA-N
XLogP0.51
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid (CID 43151881) is 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid?
The InChIKey is PCTQDBUIGZIMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-11(7-5-6-10(13)14)17(15,16)12-8-3-2-4-9-12/h2-9H2,1H3,(H,13,14).
What are the key properties of 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid?
4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoic acid is sourced from PubChem (CID 43151881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).