5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile

C12H15N3O3S — CID 43255805

IUPAC5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile
SMILESN#Cc1cc(N)ccc1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C12H15N3O3S/c13-8-9-7-10(14)1-2-12(9)19(17,18)15-5-3-11(16)4-6-15/h1-2,7,11,16H,3-6,14H2
InChIKeyZKFWRTVGHLXRBD-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.29
Rot. Bonds2

About 5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile

5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile (PubChem CID 43255805) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile.

Molecular Properties

Compound Name5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile
PubChem CID43255805
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile
SMILESN#Cc1cc(N)ccc1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C12H15N3O3S/c13-8-9-7-10(14)1-2-12(9)19(17,18)15-5-3-11(16)4-6-15/h1-2,7,11,16H,3-6,14H2
InChIKeyZKFWRTVGHLXRBD-UHFFFAOYSA-N
XLogP0.29
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 62918180
5-amino-2-(4-cyclopropylpiperazin-1-yl)sulfonylbenzonitrile
CID 61139712
5-amino-2-(4-ethoxypiperidin-1-yl)sulfonylbenzonitrile
CID 61219773
5-amino-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 115964792
5-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 64568412
5-amino-2-[(3-oxo-1,4-diazepan-1-yl)sulfonyl]benzonitrile
CID 65360997
(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 94895309
1-(2-hydrazinylphenyl)sulfonylpiperidin-4-ol
CID 43383525
2-amino-N-(4-chloro-3-cyanophenyl)-4-fluoro-5-(4-hydroxypiperidin-1-yl)sulfonylbenzamide
CID 162644771
5-bromo-2-piperazin-1-ylsulfonylbenzonitrile
CID 164863865
3-amino-4-(3-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 102955115
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile?
The IUPAC name of 5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile (CID 43255805) is 5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile.
What is the SMILES notation for 5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile?
The canonical SMILES for 5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile is N#Cc1cc(N)ccc1S(=O)(=O)N1CCC(O)CC1.
What is the InChIKey of 5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile?
The InChIKey is ZKFWRTVGHLXRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c13-8-9-7-10(14)1-2-12(9)19(17,18)15-5-3-11(16)4-6-15/h1-2,7,11,16H,3-6,14H2.
What are the key properties of 5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile?
5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile has a molecular weight of 281.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-hydroxypiperidin-1-yl)sulfonylbenzonitrile is sourced from PubChem (CID 43255805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).