1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine

C18H24N2O3S — CID 9267437

IUPAC1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)c2ccccc12
InChIInChI=1S/C18H24N2O3S/c1-3-14-23-17-8-9-18(16-7-5-4-6-15(16)17)24(21,22)20-12-10-19(2)11-13-20/h4-9H,3,10-14H2,1-2H3
InChIKeyBQJFKDCTMYZPSX-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.56
Rot. Bonds5

About 1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine

1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine (PubChem CID 9267437) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine
PubChem CID9267437
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)c2ccccc12
InChIInChI=1S/C18H24N2O3S/c1-3-14-23-17-8-9-18(16-7-5-4-6-15(16)17)24(21,22)20-12-10-19(2)11-13-20/h4-9H,3,10-14H2,1-2H3
InChIKeyBQJFKDCTMYZPSX-UHFFFAOYSA-N
XLogP2.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 776924
CID 776924
CID 786091
CID 786091
CID 976573
CID 976573
CID 6471744
CID 6471744
CID 775829
CID 775829
CID 1260937
CID 1260937
CID 847009
CID 847009
CID 1274107
CID 1274107
CID 723649
CID 723649
CID 652874
CID 652874
CID 701306
CID 701306
CID 786092
CID 786092

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine?
The IUPAC name of 1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine (CID 9267437) is 1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine is CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)c2ccccc12.
What is the InChIKey of 1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine?
The InChIKey is BQJFKDCTMYZPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-3-14-23-17-8-9-18(16-7-5-4-6-15(16)17)24(21,22)20-12-10-19(2)11-13-20/h4-9H,3,10-14H2,1-2H3.
What are the key properties of 1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine?
1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine has a molecular weight of 348.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazine is sourced from PubChem (CID 9267437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).