2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine

C13H26N2O2S — CID 64838935

IUPAC2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCC1(C)CN(CCCS(C)(=O)=O)C(C2CC2)CN1
InChIInChI=1S/C13H26N2O2S/c1-13(2)10-15(7-4-8-18(3,16)17)12(9-14-13)11-5-6-11/h11-12,14H,4-10H2,1-3H3
InChIKeySUAVAKFTUNCYRA-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.88
Rot. Bonds5

About 2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine

2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine (PubChem CID 64838935) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine
PubChem CID64838935
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCC1(C)CN(CCCS(C)(=O)=O)C(C2CC2)CN1
InChIInChI=1S/C13H26N2O2S/c1-13(2)10-15(7-4-8-18(3,16)17)12(9-14-13)11-5-6-11/h11-12,14H,4-10H2,1-3H3
InChIKeySUAVAKFTUNCYRA-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine?
The IUPAC name of 2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine (CID 64838935) is 2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine?
The canonical SMILES for 2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine is CC1(C)CN(CCCS(C)(=O)=O)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine?
The InChIKey is SUAVAKFTUNCYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-13(2)10-15(7-4-8-18(3,16)17)12(9-14-13)11-5-6-11/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine?
2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine has a molecular weight of 274.43 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 64838935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).