1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine

C18H23NO3S — CID 2921595

IUPAC1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C)C2)c2ccccc12
InChIInChI=1S/C18H23NO3S/c1-3-22-17-10-11-18(16-9-5-4-8-15(16)17)23(20,21)19-12-6-7-14(2)13-19/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKeyMJMKMBYMJIHUSR-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.66
Rot. Bonds4

About 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine

1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine (PubChem CID 2921595) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
PubChem CID2921595
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C)C2)c2ccccc12
InChIInChI=1S/C18H23NO3S/c1-3-22-17-10-11-18(16-9-5-4-8-15(16)17)23(20,21)19-12-6-7-14(2)13-19/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKeyMJMKMBYMJIHUSR-UHFFFAOYSA-N
XLogP3.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine?
The IUPAC name of 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine (CID 2921595) is 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine?
The canonical SMILES for 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine is CCOc1ccc(S(=O)(=O)N2CCCC(C)C2)c2ccccc12.
What is the InChIKey of 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine?
The InChIKey is MJMKMBYMJIHUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-3-22-17-10-11-18(16-9-5-4-8-15(16)17)23(20,21)19-12-6-7-14(2)13-19/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3.
What are the key properties of 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine?
1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine has a molecular weight of 333.45 g/mol, XLogP of 3.66, 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)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 2921595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).