3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine

C16H25NO3S — CID 110602803

IUPAC3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine
SMILESCCOCC1CCCN(S(=O)(=O)Cc2ccccc2C)C1
InChIInChI=1S/C16H25NO3S/c1-3-20-12-15-8-6-10-17(11-15)21(18,19)13-16-9-5-4-7-14(16)2/h4-5,7,9,15H,3,6,8,10-13H2,1-2H3
InChIKeySERRKIMKHUTFLT-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.57
Rot. Bonds6

About 3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine

3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine (PubChem CID 110602803) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine.

Molecular Properties

Compound Name3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine
PubChem CID110602803
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine
SMILESCCOCC1CCCN(S(=O)(=O)Cc2ccccc2C)C1
InChIInChI=1S/C16H25NO3S/c1-3-20-12-15-8-6-10-17(11-15)21(18,19)13-16-9-5-4-7-14(16)2/h4-5,7,9,15H,3,6,8,10-13H2,1-2H3
InChIKeySERRKIMKHUTFLT-UHFFFAOYSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethylpiperidin-1-yl)sulfonylmethyl]benzonitrile
CID 43430409
1-(3,4-dimethylphenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110602793
1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110418188
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 110418161
3-[(2-methylphenoxy)methyl]-1-propylsulfonylpiperidine
CID 110638480
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110418717
2-cyclopropyl-1-[(2-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871847
N-(4-ethoxyphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50808871
1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 66485434
3-[(2-methylphenyl)methylsulfonyl]-3,8-diazabicyclo[3.2.1]octane
CID 166248639
1-[2-(chloromethyl)phenyl]sulfonyl-3-(methoxymethyl)piperidine
CID 106589952
N-cyclopentyl-3-(ethoxymethyl)piperidine-1-sulfonamide
CID 110610368

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine?
The IUPAC name of 3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine (CID 110602803) is 3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine.
What is the SMILES notation for 3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine?
The canonical SMILES for 3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine is CCOCC1CCCN(S(=O)(=O)Cc2ccccc2C)C1.
What is the InChIKey of 3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine?
The InChIKey is SERRKIMKHUTFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-3-20-12-15-8-6-10-17(11-15)21(18,19)13-16-9-5-4-7-14(16)2/h4-5,7,9,15H,3,6,8,10-13H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine?
3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine has a molecular weight of 311.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine is sourced from PubChem (CID 110602803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).