1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine

C17H27NO3S — CID 66486193

IUPAC1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine
SMILESCCOc1cc(S(=O)(=O)N2CCCCC2CC)c(C)cc1C
InChIInChI=1S/C17H27NO3S/c1-5-15-9-7-8-10-18(15)22(19,20)17-12-16(21-6-2)13(3)11-14(17)4/h11-12,15H,5-10H2,1-4H3
InChIKeyMFWQXFCYBVAYIY-UHFFFAOYSA-N
MW325.47 g/mol
LogP3.66
Rot. Bonds5

About 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine

1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine (PubChem CID 66486193) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine.

Molecular Properties

Compound Name1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine
PubChem CID66486193
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine
SMILESCCOc1cc(S(=O)(=O)N2CCCCC2CC)c(C)cc1C
InChIInChI=1S/C17H27NO3S/c1-5-15-9-7-8-10-18(15)22(19,20)17-12-16(21-6-2)13(3)11-14(17)4/h11-12,15H,5-10H2,1-4H3
InChIKeyMFWQXFCYBVAYIY-UHFFFAOYSA-N
XLogP3.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728256
3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739913
3-(2-ethylpiperidin-1-yl)sulfonyl-4-fluoro-5-methylaniline
CID 80646546
4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline
CID 79588507
ethyl 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116381
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
CID 66485991
3-(2-ethylpyrrolidin-1-yl)sulfonyl-4-methylbenzoic acid
CID 60973510
3-(2-ethylazepan-1-yl)sulfonyl-4-methoxyaniline
CID 104688731
1-(4-chloro-2-methyl-5-nitrophenyl)sulfonyl-2-ethylpyrrolidine
CID 81041435
2-[[1-(2,4,5-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 143657937
2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine
CID 19682814
2-(bromomethyl)-1-(2,5-dibromo-4-methylphenyl)sulfonylpiperidine
CID 81327929

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine?
The IUPAC name of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine (CID 66486193) is 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine.
What is the SMILES notation for 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine?
The canonical SMILES for 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine is CCOc1cc(S(=O)(=O)N2CCCCC2CC)c(C)cc1C.
What is the InChIKey of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine?
The InChIKey is MFWQXFCYBVAYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-5-15-9-7-8-10-18(15)22(19,20)17-12-16(21-6-2)13(3)11-14(17)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine?
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine has a molecular weight of 325.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine is sourced from PubChem (CID 66486193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).