N-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide

C10H19N3O2S — CID 28785073

IUPACN-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)CCC#N)CC1
InChIInChI=1S/C10H19N3O2S/c1-10-4-8-13(9-5-10)16(14,15)12(2)7-3-6-11/h10H,3-5,7-9H2,1-2H3
InChIKeyWNRZEYNPFIQAOG-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.81
Rot. Bonds4

About N-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide

N-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide (PubChem CID 28785073) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide
PubChem CID28785073
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)CCC#N)CC1
InChIInChI=1S/C10H19N3O2S/c1-10-4-8-13(9-5-10)16(14,15)12(2)7-3-6-11/h10H,3-5,7-9H2,1-2H3
InChIKeyWNRZEYNPFIQAOG-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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Related Compounds

4-Cyano-1-piperidinesulfonyl chloride
CID 72208308
N,N,4-trimethylpiperidine-1-sulfonamide
CID 224932
(3S)-N-(2-cyanoethyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 93860563
4-Cyanopiperidine-1-sulfonyl fluoride
CID 135564439
N,N,3-trimethylpiperidine-1-sulfonamide
CID 4627296
4-Methylpiperidine-1-sulfonamide
CID 20752928
4-Propan-2-ylpiperidine-1-sulfonamide
CID 20782491
1-Piperidinesulfonamide, 4-ethyl-
CID 45080629
(3S)-N,N,3-trimethylpiperidine-1-sulfonamide
CID 51415822
(3R)-3-ethyl-N,N-dimethylpiperidine-1-sulfonamide
CID 57545263
N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 57742698
N,4-diethyl-N-methylpiperidine-1-sulfonamide
CID 58832156

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide (CID 28785073) is N-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(C)CCC#N)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide?
The InChIKey is WNRZEYNPFIQAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-10-4-8-13(9-5-10)16(14,15)12(2)7-3-6-11/h10H,3-5,7-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide?
N-(2-cyanoethyl)-N,4-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,4-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 28785073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).