2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

C18H26N2OS — CID 2424815

IUPAC2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CSC1CCCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H26N2OS/c21-18(15-22-17-9-5-2-6-10-17)20-13-11-19(12-14-20)16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2
InChIKeyAMPJSHBXVZRPEM-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.40
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2424815) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2424815
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CSC1CCCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H26N2OS/c21-18(15-22-17-9-5-2-6-10-17)20-13-11-19(12-14-20)16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2
InChIKeyAMPJSHBXVZRPEM-UHFFFAOYSA-N
XLogP3.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (CID 2424815) is 2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CSC1CCCCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is AMPJSHBXVZRPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c21-18(15-22-17-9-5-2-6-10-17)20-13-11-19(12-14-20)16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2.
What are the key properties of 2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 318.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2424815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).