1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide

C16H20N4O3S — CID 121154210

IUPAC1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CC(N2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C16H20N4O3S/c17-9-13-3-1-2-4-15(13)24(22,23)20-10-14(11-20)19-7-5-12(6-8-19)16(18)21/h1-4,12,14H,5-8,10-11H2,(H2,18,21)
InChIKeyQSDRUMXFMYOXJS-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.13
Rot. Bonds4

About 1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide

1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121154210) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
PubChem CID121154210
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CC(N2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C16H20N4O3S/c17-9-13-3-1-2-4-15(13)24(22,23)20-10-14(11-20)19-7-5-12(6-8-19)16(18)21/h1-4,12,14H,5-8,10-11H2,(H2,18,21)
InChIKeyQSDRUMXFMYOXJS-UHFFFAOYSA-N
XLogP0.13
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide 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

1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154164
1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154153
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
CID 8868910
2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile
CID 43096470
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)benzonitrile
CID 66371644
1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154179
1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154139
1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 119099937
4-(2-cyanophenyl)sulfonylpiperazine-1-carboxylic acid
CID 175456558
1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide
CID 22132350
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide
CID 110750534
1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 9180398

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide (CID 121154210) is 1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide is N#Cc1ccccc1S(=O)(=O)N1CC(N2CCC(C(N)=O)CC2)C1.
What is the InChIKey of 1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is QSDRUMXFMYOXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c17-9-13-3-1-2-4-15(13)24(22,23)20-10-14(11-20)19-7-5-12(6-8-19)16(18)21/h1-4,12,14H,5-8,10-11H2,(H2,18,21).
What are the key properties of 1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121154210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).