ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one

C16H25NO3S — CID 143985261

IUPACethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
SMILESCC.CC(C)c1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C14H19NO3S.C2H6/c1-11(2)12-3-5-14(6-4-12)19(17,18)15-9-7-13(16)8-10-15;1-2/h3-6,11H,7-10H2,1-2H3;1-2H3
InChIKeyWKJXBYKDXOEKTI-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.19
Rot. Bonds3

About ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one

ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one (PubChem CID 143985261) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Nameethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
PubChem CID143985261
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Nameethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
SMILESCC.CC(C)c1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C14H19NO3S.C2H6/c1-11(2)12-3-5-14(6-4-12)19(17,18)15-9-7-13(16)8-10-15;1-2/h3-6,11H,7-10H2,1-2H3;1-2H3
InChIKeyWKJXBYKDXOEKTI-UHFFFAOYSA-N
XLogP3.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 178050421
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
4-(4-propan-2-ylphenyl)sulfonyl-1,4-thiazepane
CID 86992430
ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one
CID 67569957
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid
CID 119134269
1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 17267165
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
CID 55177243
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
CID 65244701

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one?
The IUPAC name of ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one (CID 143985261) is ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one.
What is the SMILES notation for ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one?
The canonical SMILES for ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one is CC.CC(C)c1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1.
What is the InChIKey of ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one?
The InChIKey is WKJXBYKDXOEKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S.C2H6/c1-11(2)12-3-5-14(6-4-12)19(17,18)15-9-7-13(16)8-10-15;1-2/h3-6,11H,7-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one?
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one has a molecular weight of 311.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one is sourced from PubChem (CID 143985261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).