N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide

C14H21N3O3S — CID 61109197

IUPACN-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(S(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C14H21N3O3S/c1-2-14(18)16-11-7-9-17(10-8-11)21(19,20)13-6-4-3-5-12(13)15/h3-6,11H,2,7-10,15H2,1H3,(H,16,18)
InChIKeyCQKDGGNNFFYXAC-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.95
Rot. Bonds4

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

N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide (PubChem CID 61109197) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide
PubChem CID61109197
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(S(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C14H21N3O3S/c1-2-14(18)16-11-7-9-17(10-8-11)21(19,20)13-6-4-3-5-12(13)15/h3-6,11H,2,7-10,15H2,1H3,(H,16,18)
InChIKeyCQKDGGNNFFYXAC-UHFFFAOYSA-N
XLogP0.95
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.95
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-aminophenyl)sulfonylpiperidin-4-yl]acetamide
CID 61139917
N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 110823232
N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide
CID 71974641
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
2-methylsulfonylethyl N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 138626087
1-(2-aminophenyl)sulfonylazepan-4-amine
CID 89315995
2-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63156931
2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride
CID 119702884
N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
CID 167889276
3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
CID 120611650
2-[(3S)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132830

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide (CID 61109197) is N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide is CCC(=O)NC1CCN(S(=O)(=O)c2ccccc2N)CC1.
What is the InChIKey of N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide?
The InChIKey is CQKDGGNNFFYXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-14(18)16-11-7-9-17(10-8-11)21(19,20)13-6-4-3-5-12(13)15/h3-6,11H,2,7-10,15H2,1H3,(H,16,18).
What are the key properties of N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide?
N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide has a molecular weight of 311.41 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 61109197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).