N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide

C11H21N3O2S — CID 55175318

IUPACN-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide
SMILESCC(CC#N)N(C)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H21N3O2S/c1-10(7-8-12)13(3)17(15,16)14-9-5-4-6-11(14)2/h10-11H,4-7,9H2,1-3H3
InChIKeyBLYNJRYRAOMKHX-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.34
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide

N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide (PubChem CID 55175318) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide
PubChem CID55175318
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide
SMILESCC(CC#N)N(C)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H21N3O2S/c1-10(7-8-12)13(3)17(15,16)14-9-5-4-6-11(14)2/h10-11H,4-7,9H2,1-3H3
InChIKeyBLYNJRYRAOMKHX-UHFFFAOYSA-N
XLogP1.34
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide (CID 55175318) is N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide is CC(CC#N)N(C)S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide?
The InChIKey is BLYNJRYRAOMKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-10(7-8-12)13(3)17(15,16)14-9-5-4-6-11(14)2/h10-11H,4-7,9H2,1-3H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide?
N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 55175318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).