2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid

C11H20N2O6S — CID 61329043

IUPAC2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)COCC(=O)O
InChIInChI=1S/C11H20N2O6S/c1-20(17,18)12-6-9-4-2-3-5-13(9)10(14)7-19-8-11(15)16/h9,12H,2-8H2,1H3,(H,15,16)
InChIKeyBZJOTUYAUVQILI-UHFFFAOYSA-N
MW308.36 g/mol
LogP-0.98
Rot. Bonds7

About 2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid

2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid (PubChem CID 61329043) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
PubChem CID61329043
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Name2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)COCC(=O)O
InChIInChI=1S/C11H20N2O6S/c1-20(17,18)12-6-9-4-2-3-5-13(9)10(14)7-19-8-11(15)16/h9,12H,2-8H2,1H3,(H,15,16)
InChIKeyBZJOTUYAUVQILI-UHFFFAOYSA-N
XLogP-0.98
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-ethylazepan-1-yl)-2-oxoethoxy]acetic acid
CID 104689142
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CID 31998085
N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944857
N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide
CID 132968697
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
N-[[1-(3-aminobutanoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722459
N-[[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 78933697
(2R)-N-ethyl-2-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 95160650
N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 103028802
N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073346
N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073250
N-[[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 55678133

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid (CID 61329043) is 2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid is CS(=O)(=O)NCC1CCCCN1C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid?
The InChIKey is BZJOTUYAUVQILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-20(17,18)12-6-9-4-2-3-5-13(9)10(14)7-19-8-11(15)16/h9,12H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid?
2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid has a molecular weight of 308.36 g/mol, XLogP of -0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).