2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid

C14H20N2O4S — CID 64590673

IUPAC2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O4S/c17-14(18)11-21(19,20)15-13-7-4-8-16(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,17,18)
InChIKeyFPLMKANZHPAOFS-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.65
Rot. Bonds6

About 2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid

2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid (PubChem CID 64590673) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid
PubChem CID64590673
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O4S/c17-14(18)11-21(19,20)15-13-7-4-8-16(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,17,18)
InChIKeyFPLMKANZHPAOFS-UHFFFAOYSA-N
XLogP0.65
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide
CID 125441693
N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide
CID 55682031
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
4-[(1-benzylpiperidin-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113239305
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid (CID 64590673) is 2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid?
The InChIKey is FPLMKANZHPAOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-14(18)11-21(19,20)15-13-7-4-8-16(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,17,18).
What are the key properties of 2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid?
2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid has a molecular weight of 312.39 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 64590673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).