2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone

C17H31NO3S — CID 58145336

IUPAC2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
SMILESCC(C)S(=O)(=O)CC1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C17H31NO3S/c1-14(2)22(20,21)13-16-8-10-18(11-9-16)17(19)12-15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3
InChIKeyUNZIAHNBQVNEOP-UHFFFAOYSA-N
MW329.51 g/mol
LogP3.02
Rot. Bonds5

About 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone

2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone (PubChem CID 58145336) has the molecular formula C17H31NO3S and a molecular weight of 329.51 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
PubChem CID58145336
Molecular FormulaC17H31NO3S
Molecular Weight329.51 g/mol
Exact Mass329.20
IUPAC Name2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
SMILESCC(C)S(=O)(=O)CC1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C17H31NO3S/c1-14(2)22(20,21)13-16-8-10-18(11-9-16)17(19)12-15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3
InChIKeyUNZIAHNBQVNEOP-UHFFFAOYSA-N
XLogP3.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone (CID 58145336) is 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone is CC(C)S(=O)(=O)CC1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
The InChIKey is UNZIAHNBQVNEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3S/c1-14(2)22(20,21)13-16-8-10-18(11-9-16)17(19)12-15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone has a molecular weight of 329.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 58145336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).