2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C13H25N3O3S — CID 62994159

IUPAC2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)CC2CCCCC2N)CC1
InChIInChI=1S/C13H25N3O3S/c1-20(18,19)16-8-6-15(7-9-16)13(17)10-11-4-2-3-5-12(11)14/h11-12H,2-10,14H2,1H3
InChIKeyBMZPTVCNCSFVNR-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.00
Rot. Bonds3

About 2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 62994159) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID62994159
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)CC2CCCCC2N)CC1
InChIInChI=1S/C13H25N3O3S/c1-20(18,19)16-8-6-15(7-9-16)13(17)10-11-4-2-3-5-12(11)14/h11-12H,2-10,14H2,1H3
InChIKeyBMZPTVCNCSFVNR-UHFFFAOYSA-N
XLogP-0.00
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 62994159) is 2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CS(=O)(=O)N1CCN(C(=O)CC2CCCCC2N)CC1.
What is the InChIKey of 2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is BMZPTVCNCSFVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-20(18,19)16-8-6-15(7-9-16)13(17)10-11-4-2-3-5-12(11)14/h11-12H,2-10,14H2,1H3.
What are the key properties of 2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 303.43 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 62994159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).