1-methyl-4-naphthalen-2-ylsulfonylpiperazine

C15H18N2O2S — CID 872090

IUPAC1-methyl-4-naphthalen-2-ylsulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C15H18N2O2S/c1-16-8-10-17(11-9-16)20(18,19)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11H2,1H3
InChIKeyVONBSZVCFHEBKP-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.78
Rot. Bonds2

About 1-methyl-4-naphthalen-2-ylsulfonylpiperazine

1-methyl-4-naphthalen-2-ylsulfonylpiperazine (PubChem CID 872090) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-methyl-4-naphthalen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-naphthalen-2-ylsulfonylpiperazine
PubChem CID872090
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-methyl-4-naphthalen-2-ylsulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C15H18N2O2S/c1-16-8-10-17(11-9-16)20(18,19)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11H2,1H3
InChIKeyVONBSZVCFHEBKP-UHFFFAOYSA-N
XLogP1.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
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1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine
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(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile
CID 8743070
3,3-dimethyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-naphthalen-2-ylsulfonylpiperazine?
The IUPAC name of 1-methyl-4-naphthalen-2-ylsulfonylpiperazine (CID 872090) is 1-methyl-4-naphthalen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-naphthalen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-methyl-4-naphthalen-2-ylsulfonylpiperazine is CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-methyl-4-naphthalen-2-ylsulfonylpiperazine?
The InChIKey is VONBSZVCFHEBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-16-8-10-17(11-9-16)20(18,19)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-methyl-4-naphthalen-2-ylsulfonylpiperazine?
1-methyl-4-naphthalen-2-ylsulfonylpiperazine has a molecular weight of 290.39 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-naphthalen-2-ylsulfonylpiperazine is sourced from PubChem (CID 872090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).