1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine

C13H27N3O2S — CID 104746074

IUPAC1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCS(=O)(=O)N1CCN(CC(N)C2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-19(17,18)16-9-7-15(8-10-16)11-13(14)12-5-3-2-4-6-12/h12-13H,2-11,14H2,1H3
InChIKeySHNURLVUDNOVQF-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.47
Rot. Bonds4

About 1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine

1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (PubChem CID 104746074) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
PubChem CID104746074
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCS(=O)(=O)N1CCN(CC(N)C2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-19(17,18)16-9-7-15(8-10-16)11-13(14)12-5-3-2-4-6-12/h12-13H,2-11,14H2,1H3
InChIKeySHNURLVUDNOVQF-UHFFFAOYSA-N
XLogP0.47
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (CID 104746074) is 1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine is CS(=O)(=O)N1CCN(CC(N)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The InChIKey is SHNURLVUDNOVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-19(17,18)16-9-7-15(8-10-16)11-13(14)12-5-3-2-4-6-12/h12-13H,2-11,14H2,1H3.
What are the key properties of 1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine has a molecular weight of 289.44 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 104746074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).