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

C14H27N3O3S — CID 1442483

IUPACN-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
SMILESCCS(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H27N3O3S/c1-2-21(19,20)17-10-8-16(9-11-17)12-14(18)15-13-6-4-3-5-7-13/h13H,2-12H2,1H3,(H,15,18)
InChIKeyFXUCQFKSGRMGMU-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.40
Rot. Bonds5

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

N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide (PubChem CID 1442483) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
PubChem CID1442483
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
SMILESCCS(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H27N3O3S/c1-2-21(19,20)17-10-8-16(9-11-17)12-14(18)15-13-6-4-3-5-7-13/h13H,2-12H2,1H3,(H,15,18)
InChIKeyFXUCQFKSGRMGMU-UHFFFAOYSA-N
XLogP0.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide (CID 1442483) is N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide is CCS(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is FXUCQFKSGRMGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-2-21(19,20)17-10-8-16(9-11-17)12-14(18)15-13-6-4-3-5-7-13/h13H,2-12H2,1H3,(H,15,18).
What are the key properties of N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 317.46 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 1442483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).