N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide

C12H21N3O3S — CID 55173730

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCN1CCC(C#N)(NS(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C12H21N3O3S/c1-15-6-4-12(10-13,5-7-15)14-19(16,17)9-11-3-2-8-18-11/h11,14H,2-9H2,1H3
InChIKeyOGSOMERIGQAFIY-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.07
Rot. Bonds4

About N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide

N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55173730) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55173730
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCN1CCC(C#N)(NS(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C12H21N3O3S/c1-15-6-4-12(10-13,5-7-15)14-19(16,17)9-11-3-2-8-18-11/h11,14H,2-9H2,1H3
InChIKeyOGSOMERIGQAFIY-UHFFFAOYSA-N
XLogP0.07
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide 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

N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173729
N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247259
N-[1-(bromomethyl)cyclopentyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114297170
4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile
CID 114807742
N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271040
N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 114170083
N-[(1-hydroxycyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65113198
N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide
CID 129461852
N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 55219930
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 81131179
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide (CID 55173730) is N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide is CN1CCC(C#N)(NS(=O)(=O)CC2CCCO2)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is OGSOMERIGQAFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-15-6-4-12(10-13,5-7-15)14-19(16,17)9-11-3-2-8-18-11/h11,14H,2-9H2,1H3.
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide?
N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55173730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).