cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

C19H28N2O3S — CID 2677512

IUPACcyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-15(2)16-7-9-18(10-8-16)25(23,24)21-13-11-20(12-14-21)19(22)17-5-3-4-6-17/h7-10,15,17H,3-6,11-14H2,1-2H3
InChIKeyJOIBCHFIMPLVLQ-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.83
Rot. Bonds4

About cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2677512) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2677512
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Namecyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-15(2)16-7-9-18(10-8-16)25(23,24)21-13-11-20(12-14-21)19(22)17-5-3-4-6-17/h7-10,15,17H,3-6,11-14H2,1-2H3
InChIKeyJOIBCHFIMPLVLQ-UHFFFAOYSA-N
XLogP2.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (CID 2677512) is cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is JOIBCHFIMPLVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15(2)16-7-9-18(10-8-16)25(23,24)21-13-11-20(12-14-21)19(22)17-5-3-4-6-17/h7-10,15,17H,3-6,11-14H2,1-2H3.
What are the key properties of cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 364.51 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2677512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).