1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine

C17H27NO3S — CID 43845462

IUPAC1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)c1C
InChIInChI=1S/C17H27NO3S/c1-6-21-16-7-8-17(15(5)14(16)4)22(19,20)18-10-12(2)9-13(3)11-18/h7-8,12-13H,6,9-11H2,1-5H3
InChIKeyNXUPJVIPNGOAOC-UHFFFAOYSA-N
MW325.47 g/mol
LogP3.37
Rot. Bonds4

About 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine

1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 43845462) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID43845462
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)c1C
InChIInChI=1S/C17H27NO3S/c1-6-21-16-7-8-17(15(5)14(16)4)22(19,20)18-10-12(2)9-13(3)11-18/h7-8,12-13H,6,9-11H2,1-5H3
InChIKeyNXUPJVIPNGOAOC-UHFFFAOYSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 91670208
4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 3154510
2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 4914550
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
(3S,5R)-3,5-dimethyl-1-(2-methylsulfonylphenyl)sulfonylpiperidine
CID 31534083
(3R,5R)-3,5-dimethyl-1-(2-methylsulfonylphenyl)sulfonylpiperidine
CID 31534082
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 43845453
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
CID 43097472
(3S,5S)-1-(3,4-dipropoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 95864977
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
CID 47000966
1-(2,5-diethoxyphenyl)sulfonyl-3-methylpiperidine
CID 66486191
(3S)-1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidine
CID 27211044

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine (CID 43845462) is 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine is CCOc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)c1C.
What is the InChIKey of 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is NXUPJVIPNGOAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-6-21-16-7-8-17(15(5)14(16)4)22(19,20)18-10-12(2)9-13(3)11-18/h7-8,12-13H,6,9-11H2,1-5H3.
What are the key properties of 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine?
1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 325.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 43845462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).