(2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride

C15H19ClN2O2S — CID 120717041

IUPAC(2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride
SMILESC[C@H]1CNCCN1S(=O)(=O)c1cccc2ccccc12.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-12-11-16-9-10-17(12)20(18,19)15-8-4-6-13-5-2-3-7-14(13)15;/h2-8,12,16H,9-11H2,1H3;1H/t12-;/m0./s1
InChIKeyQJYZRNFMVATWTK-YDALLXLXSA-N
MW326.85 g/mol
LogP2.24
Rot. Bonds2

About (2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride

(2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride (PubChem CID 120717041) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is (2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride
PubChem CID120717041
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name(2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride
SMILESC[C@H]1CNCCN1S(=O)(=O)c1cccc2ccccc12.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-12-11-16-9-10-17(12)20(18,19)15-8-4-6-13-5-2-3-7-14(13)15;/h2-8,12,16H,9-11H2,1H3;1H/t12-;/m0./s1
InChIKeyQJYZRNFMVATWTK-YDALLXLXSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride?
The IUPAC name of (2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride (CID 120717041) is (2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride.
What is the SMILES notation for (2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride?
The canonical SMILES for (2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride is C[C@H]1CNCCN1S(=O)(=O)c1cccc2ccccc12.Cl.
What is the InChIKey of (2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride?
The InChIKey is QJYZRNFMVATWTK-YDALLXLXSA-N. The full InChI is InChI=1S/C15H18N2O2S.ClH/c1-12-11-16-9-10-17(12)20(18,19)15-8-4-6-13-5-2-3-7-14(13)15;/h2-8,12,16H,9-11H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride?
(2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120717041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).