2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone

C17H28N2O4S — CID 128553058

IUPAC2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)CS(=O)(=O)C2CC2)CC1
InChIInChI=1S/C17H28N2O4S/c20-16(12-14-4-2-1-3-5-14)18-8-10-19(11-9-18)17(21)13-24(22,23)15-6-7-15/h14-15H,1-13H2
InChIKeyBOHNPKGSSSUULY-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.20
Rot. Bonds5

About 2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone (PubChem CID 128553058) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone
PubChem CID128553058
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)CS(=O)(=O)C2CC2)CC1
InChIInChI=1S/C17H28N2O4S/c20-16(12-14-4-2-1-3-5-14)18-8-10-19(11-9-18)17(21)13-24(22,23)15-6-7-15/h14-15H,1-13H2
InChIKeyBOHNPKGSSSUULY-UHFFFAOYSA-N
XLogP1.20
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone (CID 128553058) is 2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCN(C(=O)CS(=O)(=O)C2CC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone?
The InChIKey is BOHNPKGSSSUULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c20-16(12-14-4-2-1-3-5-14)18-8-10-19(11-9-18)17(21)13-24(22,23)15-6-7-15/h14-15H,1-13H2.
What are the key properties of 2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone has a molecular weight of 356.49 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 128553058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).