(4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone

C21H30N2O3S — CID 3242304

IUPAC(4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCN(C4CCCCC4)CC3)CC2)cc1
InChIInChI=1S/C21H30N2O3S/c1-17-7-9-19(10-8-17)27(25,26)21(11-12-21)20(24)23-15-13-22(14-16-23)18-5-3-2-4-6-18/h7-10,18H,2-6,11-16H2,1H3
InChIKeyGIRSLWKMMKYOFH-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.78
Rot. Bonds4

About (4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone

(4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone (PubChem CID 3242304) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
PubChem CID3242304
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCN(C4CCCCC4)CC3)CC2)cc1
InChIInChI=1S/C21H30N2O3S/c1-17-7-9-19(10-8-17)27(25,26)21(11-12-21)20(24)23-15-13-22(14-16-23)18-5-3-2-4-6-18/h7-10,18H,2-6,11-16H2,1H3
InChIKeyGIRSLWKMMKYOFH-UHFFFAOYSA-N
XLogP2.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone (CID 3242304) is (4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone is Cc1ccc(S(=O)(=O)C2(C(=O)N3CCN(C4CCCCC4)CC3)CC2)cc1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
The InChIKey is GIRSLWKMMKYOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-17-7-9-19(10-8-17)27(25,26)21(11-12-21)20(24)23-15-13-22(14-16-23)18-5-3-2-4-6-18/h7-10,18H,2-6,11-16H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
(4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone has a molecular weight of 390.55 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone is sourced from PubChem (CID 3242304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).