N-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide

C10H19N3O2S — CID 43210885

IUPACN-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)CCC#N)C1
InChIInChI=1S/C10H19N3O2S/c1-10-5-3-8-13(9-10)16(14,15)12(2)7-4-6-11/h10H,3-5,7-9H2,1-2H3
InChIKeyNBWMZBMTTAHHTL-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.81
Rot. Bonds4

About N-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide

N-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide (PubChem CID 43210885) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide
PubChem CID43210885
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)CCC#N)C1
InChIInChI=1S/C10H19N3O2S/c1-10-5-3-8-13(9-10)16(14,15)12(2)7-4-6-11/h10H,3-5,7-9H2,1-2H3
InChIKeyNBWMZBMTTAHHTL-UHFFFAOYSA-N
XLogP0.81
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide (CID 43210885) is N-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)N(C)CCC#N)C1.
What is the InChIKey of N-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide?
The InChIKey is NBWMZBMTTAHHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-10-5-3-8-13(9-10)16(14,15)12(2)7-4-6-11/h10H,3-5,7-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide?
N-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N,3-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 43210885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).