1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine

C17H21NO3S — CID 772123

IUPAC1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C17H21NO3S/c1-2-21-16-10-11-17(15-9-5-4-8-14(15)16)22(19,20)18-12-6-3-7-13-18/h4-5,8-11H,2-3,6-7,12-13H2,1H3
InChIKeyXQQSBPQOCBCEJQ-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.41
Rot. Bonds4

About 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine

1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine (PubChem CID 772123) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine
PubChem CID772123
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C17H21NO3S/c1-2-21-16-10-11-17(15-9-5-4-8-14(15)16)22(19,20)18-12-6-3-7-13-18/h4-5,8-11H,2-3,6-7,12-13H2,1H3
InChIKeyXQQSBPQOCBCEJQ-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Ethoxynaphthalen-1-yl)sulfonylazepane
CID 776924
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 899243
4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide
CID 3148555
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
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 1274107
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649
[(4-Methoxynaphthyl)sulfonyl](3-morpholin-4-ylpropyl)amine
CID 652874

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine?
The IUPAC name of 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine (CID 772123) is 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine?
The canonical SMILES for 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine is CCOc1ccc(S(=O)(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine?
The InChIKey is XQQSBPQOCBCEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-2-21-16-10-11-17(15-9-5-4-8-14(15)16)22(19,20)18-12-6-3-7-13-18/h4-5,8-11H,2-3,6-7,12-13H2,1H3.
What are the key properties of 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine?
1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine has a molecular weight of 319.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine is sourced from PubChem (CID 772123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).