N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide

C20H31N3O2S — CID 55565419

IUPACN-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2S/c1-21(20-12-6-3-7-13-20)26(24,25)23-17-15-22(16-18-23)14-8-11-19-9-4-2-5-10-19/h2,4-5,8-11,20H,3,6-7,12-18H2,1H3/b11-8+
InChIKeyOFTORPPCQGUYLC-DHZHZOJOSA-N
MW377.55 g/mol
LogP2.83
Rot. Bonds6

About N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide

N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide (PubChem CID 55565419) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
PubChem CID55565419
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC NameN-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2S/c1-21(20-12-6-3-7-13-20)26(24,25)23-17-15-22(16-18-23)14-8-11-19-9-4-2-5-10-19/h2,4-5,8-11,20H,3,6-7,12-18H2,1H3/b11-8+
InChIKeyOFTORPPCQGUYLC-DHZHZOJOSA-N
XLogP2.83
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2838259
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510300
N-cyclopropyl-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]methanesulfonamide
CID 113136310
N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
CID 56870555
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 55625884
1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
CID 991812
1-(3,4-dimethylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683006
N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 97427429
1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine
CID 7074526
1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 92681903
cyclobutyl-[4-(3-phenylprop-2-enyl)-1,4-diazepan-1-yl]methanone
CID 171335990

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide (CID 55565419) is N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide?
The InChIKey is OFTORPPCQGUYLC-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-21(20-12-6-3-7-13-20)26(24,25)23-17-15-22(16-18-23)14-8-11-19-9-4-2-5-10-19/h2,4-5,8-11,20H,3,6-7,12-18H2,1H3/b11-8+.
What are the key properties of N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide?
N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide has a molecular weight of 377.55 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide is sourced from PubChem (CID 55565419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).