1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine

C17H21NO3S — CID 2897720

IUPAC1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine
SMILESCOc1ccc2cc(S(=O)(=O)N3CCCC(C)C3)ccc2c1
InChIInChI=1S/C17H21NO3S/c1-13-4-3-9-18(12-13)22(19,20)17-8-6-14-10-16(21-2)7-5-15(14)11-17/h5-8,10-11,13H,3-4,9,12H2,1-2H3
InChIKeyLTCDHIJONGQZOP-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.27
Rot. Bonds3

About 1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine

1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine (PubChem CID 2897720) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine
PubChem CID2897720
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine
SMILESCOc1ccc2cc(S(=O)(=O)N3CCCC(C)C3)ccc2c1
InChIInChI=1S/C17H21NO3S/c1-13-4-3-9-18(12-13)22(19,20)17-8-6-14-10-16(21-2)7-5-15(14)11-17/h5-8,10-11,13H,3-4,9,12H2,1-2H3
InChIKeyLTCDHIJONGQZOP-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Ethoxynaphthalen-1-yl)sulfonylazepane
CID 776924
2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 753266
1-(6-Ethoxynaphthalen-2-yl)sulfonylpiperidine
CID 786091
1-(6-Methoxy-naphthalene-2-sulfonyl)-pyrrolidine
CID 1085520
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
1-Benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 2293923
FR-226928 free base
CID 10007341
1'-((4'-Methoxy-[1,1'-biphenyl]-4-yl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308435
1-[1-[3-(4-Methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138627971
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine (CID 2897720) is 1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine is COc1ccc2cc(S(=O)(=O)N3CCCC(C)C3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine?
The InChIKey is LTCDHIJONGQZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-4-3-9-18(12-13)22(19,20)17-8-6-14-10-16(21-2)7-5-15(14)11-17/h5-8,10-11,13H,3-4,9,12H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine?
1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine has a molecular weight of 319.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 2897720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).