N-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide

C16H24N4O2S — CID 71921601

IUPACN-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCN(C(C#N)c2ccccc2)CC1
InChIInChI=1S/C16H24N4O2S/c1-2-23(21,22)18-8-9-19-10-12-20(13-11-19)16(14-17)15-6-4-3-5-7-15/h3-7,16,18H,2,8-13H2,1H3
InChIKeyOHWWSIFASJDJEX-UHFFFAOYSA-N
MW336.46 g/mol
LogP0.81
Rot. Bonds7

About N-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide

N-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide (PubChem CID 71921601) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide
PubChem CID71921601
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCN(C(C#N)c2ccccc2)CC1
InChIInChI=1S/C16H24N4O2S/c1-2-23(21,22)18-8-9-19-10-12-20(13-11-19)16(14-17)15-6-4-3-5-7-15/h3-7,16,18H,2,8-13H2,1H3
InChIKeyOHWWSIFASJDJEX-UHFFFAOYSA-N
XLogP0.81
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide (CID 71921601) is N-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCN1CCN(C(C#N)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide?
The InChIKey is OHWWSIFASJDJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-2-23(21,22)18-8-9-19-10-12-20(13-11-19)16(14-17)15-6-4-3-5-7-15/h3-7,16,18H,2,8-13H2,1H3.
What are the key properties of N-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide?
N-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[cyano(phenyl)methyl]piperazin-1-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 71921601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).