5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine

C16H25NO3S — CID 135054158

IUPAC5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCCOC1CN(S(=O)(=O)c2ccc(C)cc2)CC(C)(C)C1
InChIInChI=1S/C16H25NO3S/c1-5-20-14-10-16(3,4)12-17(11-14)21(18,19)15-8-6-13(2)7-9-15/h6-9,14H,5,10-12H2,1-4H3
InChIKeyKJRGWKJEIKRRQM-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.82
Rot. Bonds4

About 5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine

5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 135054158) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID135054158
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCCOC1CN(S(=O)(=O)c2ccc(C)cc2)CC(C)(C)C1
InChIInChI=1S/C16H25NO3S/c1-5-20-14-10-16(3,4)12-17(11-14)21(18,19)15-8-6-13(2)7-9-15/h6-9,14H,5,10-12H2,1-4H3
InChIKeyKJRGWKJEIKRRQM-UHFFFAOYSA-N
XLogP2.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 52950936
N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide
CID 102579149
N-(benzenesulfonyl)-N-[(3R)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]benzenesulfonamide
CID 162399997
(4S,5R)-5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 98106436
1-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.1]heptan-6-one
CID 21310580
(1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 11983814
2,3-diethoxy-1,4-bis-(4-methylphenyl)sulfonylpiperazine
CID 2844836
(3aR,6aR)-3a-diethoxyphosphoryl-3,3-dimethyl-5-(4-methylphenyl)sulfonyl-1,4,6,6a-tetrahydrofuro[3,4-c]pyrrole
CID 11293362
(1R,5S)-5-methyl-3-(4-methylphenyl)sulfonyl-6-oxa-3,7-diazabicyclo[3.2.1]octane
CID 11492900
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine (CID 135054158) is 5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine is CCOC1CN(S(=O)(=O)c2ccc(C)cc2)CC(C)(C)C1.
What is the InChIKey of 5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is KJRGWKJEIKRRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-5-20-14-10-16(3,4)12-17(11-14)21(18,19)15-8-6-13(2)7-9-15/h6-9,14H,5,10-12H2,1-4H3.
What are the key properties of 5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 311.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 135054158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).