N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide

C14H20N4O2S — CID 35430981

IUPACN-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H20N4O2S/c1-16(9-5-8-15)21(19,20)18-12-10-17(11-13-18)14-6-3-2-4-7-14/h2-4,6-7H,5,9-13H2,1H3
InChIKeyBZEJAIKSTCJEBD-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.90
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide

N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide (PubChem CID 35430981) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide
PubChem CID35430981
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H20N4O2S/c1-16(9-5-8-15)21(19,20)18-12-10-17(11-13-18)14-6-3-2-4-7-14/h2-4,6-7H,5,9-13H2,1H3
InChIKeyBZEJAIKSTCJEBD-UHFFFAOYSA-N
XLogP0.90
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide (CID 35430981) is N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide is CN(CCC#N)S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide?
The InChIKey is BZEJAIKSTCJEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-16(9-5-8-15)21(19,20)18-12-10-17(11-13-18)14-6-3-2-4-7-14/h2-4,6-7H,5,9-13H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide?
N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide is sourced from PubChem (CID 35430981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).