4-cyano-N,N-dimethylpiperidine-1-sulfonamide

C8H15N3O2S — CID 39243730

IUPAC4-cyano-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C8H15N3O2S/c1-10(2)14(12,13)11-5-3-8(7-9)4-6-11/h8H,3-6H2,1-2H3
InChIKeyBIDUOEBKHVFMQF-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.03
Rot. Bonds2

About 4-cyano-N,N-dimethylpiperidine-1-sulfonamide

4-cyano-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 39243730) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-cyano-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-cyano-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID39243730
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name4-cyano-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C8H15N3O2S/c1-10(2)14(12,13)11-5-3-8(7-9)4-6-11/h8H,3-6H2,1-2H3
InChIKeyBIDUOEBKHVFMQF-UHFFFAOYSA-N
XLogP0.03
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-cyano-N,N-dimethylpiperidine-1-sulfonamide (CID 39243730) is 4-cyano-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-cyano-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-cyano-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(C#N)CC1.
What is the InChIKey of 4-cyano-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is BIDUOEBKHVFMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-10(2)14(12,13)11-5-3-8(7-9)4-6-11/h8H,3-6H2,1-2H3.
What are the key properties of 4-cyano-N,N-dimethylpiperidine-1-sulfonamide?
4-cyano-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 39243730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).