1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine

C15H23NO3S — CID 1258440

IUPAC1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(C)C
InChIInChI=1S/C15H23NO3S/c1-12(2)14-11-13(7-8-15(14)19-3)20(17,18)16-9-5-4-6-10-16/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyYWBMBIJJUIWIHO-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.99
Rot. Bonds4

About 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine

1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine (PubChem CID 1258440) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine
PubChem CID1258440
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(C)C
InChIInChI=1S/C15H23NO3S/c1-12(2)14-11-13(7-8-15(14)19-3)20(17,18)16-9-5-4-6-10-16/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyYWBMBIJJUIWIHO-UHFFFAOYSA-N
XLogP2.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine (CID 1258440) is 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine?
The InChIKey is YWBMBIJJUIWIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12(2)14-11-13(7-8-15(14)19-3)20(17,18)16-9-5-4-6-10-16/h7-8,11-12H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine?
1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine has a molecular weight of 297.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine is sourced from PubChem (CID 1258440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).