N-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide

C11H21N3O2S — CID 54941890

IUPACN-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide
SMILESCC(C#N)CN(C)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H21N3O2S/c1-10(8-12)9-13(3)17(15,16)14-7-5-4-6-11(14)2/h10-11H,4-7,9H2,1-3H3
InChIKeyLAQBOCVWAVMWDY-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.20
Rot. Bonds4

About N-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide

N-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide (PubChem CID 54941890) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide
PubChem CID54941890
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide
SMILESCC(C#N)CN(C)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H21N3O2S/c1-10(8-12)9-13(3)17(15,16)14-7-5-4-6-11(14)2/h10-11H,4-7,9H2,1-3H3
InChIKeyLAQBOCVWAVMWDY-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide (CID 54941890) is N-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide is CC(C#N)CN(C)S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide?
The InChIKey is LAQBOCVWAVMWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-10(8-12)9-13(3)17(15,16)14-7-5-4-6-11(14)2/h10-11H,4-7,9H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide?
N-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N,2-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 54941890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).