[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone

C19H27NO3S — CID 56807459

IUPAC[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCCCC3)CCCC2)c1
InChIInChI=1S/C19H27NO3S/c1-15-8-9-16(2)17(14-15)24(22,23)19(10-4-5-11-19)18(21)20-12-6-3-7-13-20/h8-9,14H,3-7,10-13H2,1-2H3
InChIKeyZUPQUWXTRVCQFM-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.40
Rot. Bonds3

About [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone

[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone (PubChem CID 56807459) has the molecular formula C19H27NO3S and a molecular weight of 349.50 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone
PubChem CID56807459
Molecular FormulaC19H27NO3S
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCCCC3)CCCC2)c1
InChIInChI=1S/C19H27NO3S/c1-15-8-9-16(2)17(14-15)24(22,23)19(10-4-5-11-19)18(21)20-12-6-3-7-13-20/h8-9,14H,3-7,10-13H2,1-2H3
InChIKeyZUPQUWXTRVCQFM-UHFFFAOYSA-N
XLogP3.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone (CID 56807459) is [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone is Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCCCC3)CCCC2)c1.
What is the InChIKey of [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone?
The InChIKey is ZUPQUWXTRVCQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3S/c1-15-8-9-16(2)17(14-15)24(22,23)19(10-4-5-11-19)18(21)20-12-6-3-7-13-20/h8-9,14H,3-7,10-13H2,1-2H3.
What are the key properties of [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone?
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone has a molecular weight of 349.50 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56807459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).