5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine

C14H28N2O2S — CID 106733291

IUPAC5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
SMILESCC(C)S(=O)(=O)CCN1CC(C2CC2)NCC1(C)C
InChIInChI=1S/C14H28N2O2S/c1-11(2)19(17,18)8-7-16-9-13(12-5-6-12)15-10-14(16,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyLLYQLXZNNRNQNM-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.27
Rot. Bonds5

About 5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine

5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine (PubChem CID 106733291) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
PubChem CID106733291
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
SMILESCC(C)S(=O)(=O)CCN1CC(C2CC2)NCC1(C)C
InChIInChI=1S/C14H28N2O2S/c1-11(2)19(17,18)8-7-16-9-13(12-5-6-12)15-10-14(16,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyLLYQLXZNNRNQNM-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine?
The IUPAC name of 5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine (CID 106733291) is 5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine is CC(C)S(=O)(=O)CCN1CC(C2CC2)NCC1(C)C.
What is the InChIKey of 5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine?
The InChIKey is LLYQLXZNNRNQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-11(2)19(17,18)8-7-16-9-13(12-5-6-12)15-10-14(16,3)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine?
5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine has a molecular weight of 288.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine is sourced from PubChem (CID 106733291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).