2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide

C13H19N3O3S — CID 61139917

IUPAC2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(S(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C13H19N3O3S/c14-11-3-1-2-4-12(11)20(18,19)16-7-5-10(6-8-16)9-13(15)17/h1-4,10H,5-9,14H2,(H2,15,17)
InChIKeyROFHDCCCFMMFAX-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.54
Rot. Bonds4

About 2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide

2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 61139917) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID61139917
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(S(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C13H19N3O3S/c14-11-3-1-2-4-12(11)20(18,19)16-7-5-10(6-8-16)9-13(15)17/h1-4,10H,5-9,14H2,(H2,15,17)
InChIKeyROFHDCCCFMMFAX-UHFFFAOYSA-N
XLogP0.54
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 47319368
1-(2-aminophenyl)sulfonylazepan-4-amine
CID 89315995
2-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]acetamide
CID 61140872
N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide
CID 61109197
2-(4-cyclobutyloxypiperidin-1-yl)sulfonylaniline
CID 146133864
2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
CID 61138398
2-thiomorpholin-4-ylsulfonylaniline
CID 28786580
2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
CID 104859249
2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol
CID 81241911
2-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63156931
5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine
CID 164614513
2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 43246304

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide (CID 61139917) is 2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide is NC(=O)CC1CCN(S(=O)(=O)c2ccccc2N)CC1.
What is the InChIKey of 2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is ROFHDCCCFMMFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-11-3-1-2-4-12(11)20(18,19)16-7-5-10(6-8-16)9-13(15)17/h1-4,10H,5-9,14H2,(H2,15,17).
What are the key properties of 2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide?
2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 61139917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).