6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol

C15H18N2O3S — CID 67206897

IUPAC6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol
SMILESCS(=O)(=O)N1CCN(c2ccc3cc(O)ccc3c2)CC1
InChIInChI=1S/C15H18N2O3S/c1-21(19,20)17-8-6-16(7-9-17)14-4-2-13-11-15(18)5-3-12(13)10-14/h2-5,10-11,18H,6-9H2,1H3
InChIKeyNCNGVLWXOFBDLS-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.63
Rot. Bonds2

About 6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol

6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol (PubChem CID 67206897) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol
PubChem CID67206897
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol
SMILESCS(=O)(=O)N1CCN(c2ccc3cc(O)ccc3c2)CC1
InChIInChI=1S/C15H18N2O3S/c1-21(19,20)17-8-6-16(7-9-17)14-4-2-13-11-15(18)5-3-12(13)10-14/h2-5,10-11,18H,6-9H2,1H3
InChIKeyNCNGVLWXOFBDLS-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol?
The IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol (CID 67206897) is 6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol.
What is the SMILES notation for 6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol?
The canonical SMILES for 6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol is CS(=O)(=O)N1CCN(c2ccc3cc(O)ccc3c2)CC1.
What is the InChIKey of 6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol?
The InChIKey is NCNGVLWXOFBDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-21(19,20)17-8-6-16(7-9-17)14-4-2-13-11-15(18)5-3-12(13)10-14/h2-5,10-11,18H,6-9H2,1H3.
What are the key properties of 6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol?
6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol has a molecular weight of 306.39 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol is sourced from PubChem (CID 67206897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).