4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide

C15H20N4O3S — CID 35431424

IUPAC4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H20N4O3S/c1-17(9-5-8-16)23(21,22)19-12-10-18(11-13-19)15(20)14-6-3-2-4-7-14/h2-4,6-7H,5,9-13H2,1H3
InChIKeyIDMLFGHYYHBFOF-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.53
Rot. Bonds5

About 4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide

4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide (PubChem CID 35431424) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide
PubChem CID35431424
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H20N4O3S/c1-17(9-5-8-16)23(21,22)19-12-10-18(11-13-19)15(20)14-6-3-2-4-7-14/h2-4,6-7H,5,9-13H2,1H3
InChIKeyIDMLFGHYYHBFOF-UHFFFAOYSA-N
XLogP0.53
TPSA84.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-4-(2-fluorobenzoyl)-N-methyl-1,4-diazepane-1-sulfonamide
CID 78858133
N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide
CID 35430981
N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide
CID 134043550
N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide
CID 134043620
[4-(bromomethylsulfonyl)piperazin-1-yl]-phenylmethanone
CID 83093371
2-(4-benzoylpiperazin-1-yl)sulfonylacetic acid
CID 43173110
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
N-(2-cyanoethyl)-4-[4-(diethylsulfamoyl)piperazin-1-yl]-4-oxo-N-phenylbutanamide
CID 56516478
2-(4-benzoylpiperazin-1-yl)butanenitrile
CID 63337423
(3R,4R)-3-(aminomethyl)-N-(2-cyanoethyl)-N-methyl-4-phenylpyrrolidine-1-sulfonamide
CID 120766200
N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide
CID 131918040
phenyl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798192

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide (CID 35431424) is 4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide is CN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide?
The InChIKey is IDMLFGHYYHBFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-17(9-5-8-16)23(21,22)19-12-10-18(11-13-19)15(20)14-6-3-2-4-7-14/h2-4,6-7H,5,9-13H2,1H3.
What are the key properties of 4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide?
4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 35431424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).