2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide

C15H27N3O3S — CID 75369982

IUPAC2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C15H27N3O3S/c1-22(20,21)18-11-9-17(10-12-18)8-7-16-15(19)13-14-5-3-2-4-6-14/h5H,2-4,6-13H2,1H3,(H,16,19)
InChIKeyMNHJRLRVSGSOAI-UHFFFAOYSA-N
MW329.47 g/mol
LogP0.57
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide

2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide (PubChem CID 75369982) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
PubChem CID75369982
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Name2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C15H27N3O3S/c1-22(20,21)18-11-9-17(10-12-18)8-7-16-15(19)13-14-5-3-2-4-6-14/h5H,2-4,6-13H2,1H3,(H,16,19)
InChIKeyMNHJRLRVSGSOAI-UHFFFAOYSA-N
XLogP0.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide (CID 75369982) is 2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide is CS(=O)(=O)N1CCN(CCNC(=O)CC2=CCCCC2)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is MNHJRLRVSGSOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-22(20,21)18-11-9-17(10-12-18)8-7-16-15(19)13-14-5-3-2-4-6-14/h5H,2-4,6-13H2,1H3,(H,16,19).
What are the key properties of 2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 75369982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).