1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone

C17H24N2O3S — CID 8933910

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3S/c20-17(14-15-6-4-5-7-15)18-10-12-19(13-11-18)23(21,22)16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14H2
InChIKeyRHAIJJUIKOLDLM-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.10
Rot. Bonds4

About 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone (PubChem CID 8933910) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone
PubChem CID8933910
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3S/c20-17(14-15-6-4-5-7-15)18-10-12-19(13-11-18)23(21,22)16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14H2
InChIKeyRHAIJJUIKOLDLM-UHFFFAOYSA-N
XLogP2.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone (CID 8933910) is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone is O=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone?
The InChIKey is RHAIJJUIKOLDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(14-15-6-4-5-7-15)18-10-12-19(13-11-18)23(21,22)16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14H2.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone?
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone has a molecular weight of 336.46 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone is sourced from PubChem (CID 8933910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).