1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine

C18H22N2O2S — CID 8692259

IUPAC1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine
SMILESC=C(C)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O2S/c1-15(2)14-19-9-11-20(12-10-19)23(21,22)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13H,1,9-12,14H2,2H3
InChIKeyFMEJVBQMGGJMQA-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine

1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine (PubChem CID 8692259) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine
PubChem CID8692259
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine
SMILESC=C(C)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O2S/c1-15(2)14-19-9-11-20(12-10-19)23(21,22)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13H,1,9-12,14H2,2H3
InChIKeyFMEJVBQMGGJMQA-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(methylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8743046
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide
CID 8692331
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 8692265
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 126477286
1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1282318
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
3,3-dimethyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
CID 17478579
N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 71903024
N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide
CID 3150874
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 129376552

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine (CID 8692259) is 1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine is C=C(C)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine?
The InChIKey is FMEJVBQMGGJMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-15(2)14-19-9-11-20(12-10-19)23(21,22)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13H,1,9-12,14H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine?
1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine has a molecular weight of 330.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine is sourced from PubChem (CID 8692259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).