1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine

C16H32N2O2S — CID 75408404

IUPAC1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(CCS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C16H32N2O2S/c1-14(2)15-4-6-16(7-5-15)18-10-8-17(9-11-18)12-13-21(3,19)20/h14-16H,4-13H2,1-3H3
InChIKeyNGYUMTWLMYOZBF-UHFFFAOYSA-N
MW316.51 g/mol
LogP1.86
Rot. Bonds5

About 1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine

1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine (PubChem CID 75408404) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
PubChem CID75408404
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(CCS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C16H32N2O2S/c1-14(2)15-4-6-16(7-5-15)18-10-8-17(9-11-18)12-13-21(3,19)20/h14-16H,4-13H2,1-3H3
InChIKeyNGYUMTWLMYOZBF-UHFFFAOYSA-N
XLogP1.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The IUPAC name of 1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine (CID 75408404) is 1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine is CC(C)C1CCC(N2CCN(CCS(C)(=O)=O)CC2)CC1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The InChIKey is NGYUMTWLMYOZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-14(2)15-4-6-16(7-5-15)18-10-8-17(9-11-18)12-13-21(3,19)20/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine has a molecular weight of 316.51 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 75408404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).