(2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine

C19H25NO3S — CID 748027

IUPAC(2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc12
InChIInChI=1S/C19H25NO3S/c1-4-23-18-12-13-19(17-11-6-5-10-16(17)18)24(21,22)20-14(2)8-7-9-15(20)3/h5-6,10-15H,4,7-9H2,1-3H3/t14-,15-/m0/s1
InChIKeyWIEMMWUTFXAPGM-GJZGRUSLSA-N
MW347.48 g/mol
LogP4.19
Rot. Bonds4

About (2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine

(2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine (PubChem CID 748027) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is (2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name(2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine
PubChem CID748027
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name(2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc12
InChIInChI=1S/C19H25NO3S/c1-4-23-18-12-13-19(17-11-6-5-10-16(17)18)24(21,22)20-14(2)8-7-9-15(20)3/h5-6,10-15H,4,7-9H2,1-3H3/t14-,15-/m0/s1
InChIKeyWIEMMWUTFXAPGM-GJZGRUSLSA-N
XLogP4.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine?
The IUPAC name of (2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine (CID 748027) is (2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine.
What is the SMILES notation for (2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine?
The canonical SMILES for (2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine is CCOc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc12.
What is the InChIKey of (2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine?
The InChIKey is WIEMMWUTFXAPGM-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-4-23-18-12-13-19(17-11-6-5-10-16(17)18)24(21,22)20-14(2)8-7-9-15(20)3/h5-6,10-15H,4,7-9H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine?
(2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine has a molecular weight of 347.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine is sourced from PubChem (CID 748027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).