cyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

C19H28N2O3S — CID 24944970

IUPACcyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)cc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C19H28N2O3S/c1-15-12-16(2)14-18(13-15)25(23,24)21-10-8-20(9-11-21)19(22)17-6-4-3-5-7-17/h12-14,17H,3-11H2,1-2H3
InChIKeyNYZNFOXDFMTATA-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.72
Rot. Bonds3

About cyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

cyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 24944970) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is cyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID24944970
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Namecyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)cc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C19H28N2O3S/c1-15-12-16(2)14-18(13-15)25(23,24)21-10-8-20(9-11-21)19(22)17-6-4-3-5-7-17/h12-14,17H,3-11H2,1-2H3
InChIKeyNYZNFOXDFMTATA-UHFFFAOYSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 24944970) is cyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1cc(C)cc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1.
What is the InChIKey of cyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is NYZNFOXDFMTATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-12-16(2)14-18(13-15)25(23,24)21-10-8-20(9-11-21)19(22)17-6-4-3-5-7-17/h12-14,17H,3-11H2,1-2H3.
What are the key properties of cyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
cyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 364.51 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 24944970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).