N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide

C13H25N3O3S — CID 855511

IUPACN-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCS(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-20(18,19)16-9-7-15(8-10-16)11-13(17)14-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,14,17)
InChIKeyNZGHRDSROOOMCN-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.01
Rot. Bonds4

About N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide

N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 855511) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID855511
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCS(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-20(18,19)16-9-7-15(8-10-16)11-13(17)14-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,14,17)
InChIKeyNZGHRDSROOOMCN-UHFFFAOYSA-N
XLogP0.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 855511) is N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide is CS(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is NZGHRDSROOOMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-20(18,19)16-9-7-15(8-10-16)11-13(17)14-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,14,17).
What are the key properties of N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 303.43 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 855511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).