3-methoxy-1-naphthalen-1-ylsulfonylpiperidine

C16H19NO3S — CID 103740922

IUPAC3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
SMILESCOC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C16H19NO3S/c1-20-14-8-5-11-17(12-14)21(18,19)16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3
InChIKeyQRRFBOLLXOHGHE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.64
Rot. Bonds3

About 3-methoxy-1-naphthalen-1-ylsulfonylpiperidine

3-methoxy-1-naphthalen-1-ylsulfonylpiperidine (PubChem CID 103740922) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-methoxy-1-naphthalen-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
PubChem CID103740922
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
SMILESCOC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C16H19NO3S/c1-20-14-8-5-11-17(12-14)21(18,19)16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3
InChIKeyQRRFBOLLXOHGHE-UHFFFAOYSA-N
XLogP2.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-naphthalen-1-ylsulfonylpiperidine 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

3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484
5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122268448
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
[3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 102971809
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968918
1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride
CID 119984364
N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide
CID 71974641
3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine
CID 121188695
3-bromo-4-methyl-1-naphthalen-1-ylsulfonylpiperidine
CID 102962673
3-(2-chloroethyl)-1-naphthalen-1-ylsulfonylpyrrolidine
CID 114801891
1-[4-(bromomethyl)phenyl]sulfonyl-3-methoxypiperidine
CID 102963933

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-naphthalen-1-ylsulfonylpiperidine?
The IUPAC name of 3-methoxy-1-naphthalen-1-ylsulfonylpiperidine (CID 103740922) is 3-methoxy-1-naphthalen-1-ylsulfonylpiperidine.
What is the SMILES notation for 3-methoxy-1-naphthalen-1-ylsulfonylpiperidine?
The canonical SMILES for 3-methoxy-1-naphthalen-1-ylsulfonylpiperidine is COC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1.
What is the InChIKey of 3-methoxy-1-naphthalen-1-ylsulfonylpiperidine?
The InChIKey is QRRFBOLLXOHGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-20-14-8-5-11-17(12-14)21(18,19)16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3.
What are the key properties of 3-methoxy-1-naphthalen-1-ylsulfonylpiperidine?
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine has a molecular weight of 305.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-naphthalen-1-ylsulfonylpiperidine is sourced from PubChem (CID 103740922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).