2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid

C16H24N2O4S — CID 146108649

IUPAC2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid
SMILESCCN1CCCC(CNS(=O)(=O)c2cccc(CC(=O)O)c2)C1
InChIInChI=1S/C16H24N2O4S/c1-2-18-8-4-6-14(12-18)11-17-23(21,22)15-7-3-5-13(9-15)10-16(19)20/h3,5,7,9,14,17H,2,4,6,8,10-12H2,1H3,(H,19,20)
InChIKeyZAWAJDVVYUOFFZ-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.32
Rot. Bonds7

About 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid

2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid (PubChem CID 146108649) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid
PubChem CID146108649
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid
SMILESCCN1CCCC(CNS(=O)(=O)c2cccc(CC(=O)O)c2)C1
InChIInChI=1S/C16H24N2O4S/c1-2-18-8-4-6-14(12-18)11-17-23(21,22)15-7-3-5-13(9-15)10-16(19)20/h3,5,7,9,14,17H,2,4,6,8,10-12H2,1H3,(H,19,20)
InChIKeyZAWAJDVVYUOFFZ-UHFFFAOYSA-N
XLogP1.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 60857196
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 47092430
4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60860756
N-[(1-ethylpiperidin-3-yl)methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 47092431
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44526052
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide
CID 60855317
4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 52522304
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 60855885

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid (CID 146108649) is 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid is CCN1CCCC(CNS(=O)(=O)c2cccc(CC(=O)O)c2)C1.
What is the InChIKey of 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid?
The InChIKey is ZAWAJDVVYUOFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-2-18-8-4-6-14(12-18)11-17-23(21,22)15-7-3-5-13(9-15)10-16(19)20/h3,5,7,9,14,17H,2,4,6,8,10-12H2,1H3,(H,19,20).
What are the key properties of 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid?
2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid has a molecular weight of 340.44 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 146108649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).