1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine

C16H20N2O3S — CID 846975

IUPAC1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)c2ccccc12
InChIInChI=1S/C16H20N2O3S/c1-17-9-11-18(12-10-17)22(19,20)16-8-7-15(21-2)13-5-3-4-6-14(13)16/h3-8H,9-12H2,1-2H3
InChIKeyAWNUQFSUQMLYIE-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.78
Rot. Bonds3

About 1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine

1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine (PubChem CID 846975) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine
PubChem CID846975
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)c2ccccc12
InChIInChI=1S/C16H20N2O3S/c1-17-9-11-18(12-10-17)22(19,20)16-8-7-15(21-2)13-5-3-4-6-14(13)16/h3-8H,9-12H2,1-2H3
InChIKeyAWNUQFSUQMLYIE-UHFFFAOYSA-N
XLogP1.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Ethoxynaphthalen-1-yl)sulfonylazepane
CID 776924
1-(6-Ethoxynaphthalen-2-yl)sulfonylpiperidine
CID 786091
1-(4-Ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
CID 976573
1-(4-Methoxynaphthalen-1-yl)sulfonylpyrrolidine
CID 6471744
4-Methyl-1-[(4-propoxynaphthyl)sulfonyl]piperazine
CID 9267437
1-[(6-Methoxy-2-naphthyl)sulfonyl]-4-methylpiperazine
CID 775829
Ethyl 4-[(4-ethoxy-1-naphthyl)sulfonyl]piperazine-1-carboxylate
CID 1260937
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
FR-226928 free base
CID 10007341
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 1274107
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649
N-[(4-methoxy-1-naphthyl)sulfonyl]-N-methylglycine
CID 729581

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine (CID 846975) is 1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine is COc1ccc(S(=O)(=O)N2CCN(C)CC2)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine?
The InChIKey is AWNUQFSUQMLYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-17-9-11-18(12-10-17)22(19,20)16-8-7-15(21-2)13-5-3-4-6-14(13)16/h3-8H,9-12H2,1-2H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine?
1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine has a molecular weight of 320.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 846975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).