2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid

C8H16N2O4S — CID 28783588

IUPAC2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H16N2O4S/c1-9(7-8(11)12)15(13,14)10-5-3-2-4-6-10/h2-7H2,1H3,(H,11,12)
InChIKeyBMROCZVAAMGBGA-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.27
Rot. Bonds4

About 2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid

2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid (PubChem CID 28783588) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid
PubChem CID28783588
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H16N2O4S/c1-9(7-8(11)12)15(13,14)10-5-3-2-4-6-10/h2-7H2,1H3,(H,11,12)
InChIKeyBMROCZVAAMGBGA-UHFFFAOYSA-N
XLogP-0.27
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid (CID 28783588) is 2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid is CN(CC(=O)O)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid?
The InChIKey is BMROCZVAAMGBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-9(7-8(11)12)15(13,14)10-5-3-2-4-6-10/h2-7H2,1H3,(H,11,12).
What are the key properties of 2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid?
2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid has a molecular weight of 236.29 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-1-ylsulfonyl)amino]acetic acid is sourced from PubChem (CID 28783588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).