N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide

C14H19N3O3S — CID 89237397

IUPACN-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C14H19N3O3S/c1-2-14(18)16-12-6-8-17(9-7-12)21(19,20)13-5-3-4-11(15)10-13/h2-5,10,12H,1,6-9,15H2,(H,16,18)
InChIKeySBJXEEWRLRATRN-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.72
Rot. Bonds4

About N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide

N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide (PubChem CID 89237397) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide
PubChem CID89237397
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C14H19N3O3S/c1-2-14(18)16-12-6-8-17(9-7-12)21(19,20)13-5-3-4-11(15)10-13/h2-5,10,12H,1,6-9,15H2,(H,16,18)
InChIKeySBJXEEWRLRATRN-UHFFFAOYSA-N
XLogP0.72
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzyl-[3-[4-(prop-2-enoylamino)azepan-1-yl]sulfonylphenyl]carbamic acid
CID 89236196
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436
1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
CID 62917852
3-(azetidin-1-ylsulfonyl)aniline
CID 130546539
[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 61113905
3-(azepan-1-ylsulfonyl)aniline
CID 5004919
N-[(3S)-1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]prop-2-enamide
CID 89237996
2-fluoro-N-(2-phenylethyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 86674087
N-(2-phenylcyclopropyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 78075590
N-(1-adamantylmethyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89236780
N-[1-[4-(isoquinolin-3-ylamino)phenyl]sulfonylazepan-4-yl]prop-2-enamide
CID 89238217
3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline
CID 164898456

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide (CID 89237397) is N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide is C=CC(=O)NC1CCN(S(=O)(=O)c2cccc(N)c2)CC1.
What is the InChIKey of N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide?
The InChIKey is SBJXEEWRLRATRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-14(18)16-12-6-8-17(9-7-12)21(19,20)13-5-3-4-11(15)10-13/h2-5,10,12H,1,6-9,15H2,(H,16,18).
What are the key properties of N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide?
N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide has a molecular weight of 309.39 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 89237397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).