2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one

C16H17NO5S — CID 71805683

IUPAC2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one
SMILESCS(=O)(=O)C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C16H17NO5S/c1-23(20,21)11-6-8-17(9-7-11)16(19)15-10-13(18)12-4-2-3-5-14(12)22-15/h2-5,10-11H,6-9H2,1H3
InChIKeyISDATPFAHBVBPI-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.44
Rot. Bonds2

About 2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one

2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one (PubChem CID 71805683) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one
PubChem CID71805683
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one
SMILESCS(=O)(=O)C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C16H17NO5S/c1-23(20,21)11-6-8-17(9-7-11)16(19)15-10-13(18)12-4-2-3-5-14(12)22-15/h2-5,10-11H,6-9H2,1H3
InChIKeyISDATPFAHBVBPI-UHFFFAOYSA-N
XLogP1.44
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one?
The IUPAC name of 2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one (CID 71805683) is 2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one.
What is the SMILES notation for 2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one?
The canonical SMILES for 2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one is CS(=O)(=O)C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one?
The InChIKey is ISDATPFAHBVBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-23(20,21)11-6-8-17(9-7-11)16(19)15-10-13(18)12-4-2-3-5-14(12)22-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one?
2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one has a molecular weight of 335.38 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperidine-1-carbonyl)chromen-4-one is sourced from PubChem (CID 71805683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).