1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine

C16H20N2O3S — CID 775829

IUPAC1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2c1
InChIInChI=1S/C16H20N2O3S/c1-17-7-9-18(10-8-17)22(19,20)16-6-4-13-11-15(21-2)5-3-14(13)12-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyUICJHFCWRLKNQU-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.78
Rot. Bonds3

About 1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine

1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine (PubChem CID 775829) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine
PubChem CID775829
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2c1
InChIInChI=1S/C16H20N2O3S/c1-17-7-9-18(10-8-17)22(19,20)16-6-4-13-11-15(21-2)5-3-14(13)12-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyUICJHFCWRLKNQU-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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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine (CID 775829) is 1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine is COc1ccc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine?
The InChIKey is UICJHFCWRLKNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-17-7-9-18(10-8-17)22(19,20)16-6-4-13-11-15(21-2)5-3-14(13)12-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine?
1-(6-methoxynaphthalen-2-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-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 775829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).